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N-[(2,5-dimethoxyphenyl)methyl]adamantan-2-amine

N-[(2,5-dimethoxyphenyl)methyl]adamantan-2-amine

Formula: C19H27NO2

SMILES: COC1=CC=C(OC)C(CNC2C3CC4CC(C3)CC2C4)=C1

IUPAC: N-[(2,5-dimethoxyphenyl)methyl]adamantan-2-amine

InChI: InChI=1S/C19H27NO2/c1-21-17-3-4-18(22-2)16(10-17)11-20-19-14-6-12-5-13(8-14)9-15(19)7-12/h3-4,10,12-15,19-20H,5-9,11H2,1-2H3

Composition: C (75.71%), H (9.03%), N (4.65%), O (10.62%)

Molar Mass: 301.43

Atom Count: 49

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 301.204179113
Formal Charge 0
FSP3 0.68
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey ITWXVUBECBLMQA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.68
Topological Polar Surface Area 30.49
Polarizability 34.96
Ring Count 4
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H27NO2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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