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benzyl[(2,5-dimethoxyphenyl)methyl]amine

benzyl[(2,5-dimethoxyphenyl)methyl]amine

CAS: 626205-84-3

Formula: C16H19NO2

SMILES: COC1=CC(CNCC2=CC=CC=C2)=C(OC)C=C1

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

InChI: InChI=1S/C16H19NO2/c1-18-15-8-9-16(19-2)14(10-15)12-17-11-13-6-4-3-5-7-13/h3-10,17H,11-12H2,1-2H3

Composition: C (74.68%), H (7.44%), N (5.44%), O (12.43%)

Molar Mass: 257.333

Atom Count: 38

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 257.141578856
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey ANAWJFQLYUXDAP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.85
Topological Polar Surface Area 30.49
Polarizability 30.18
Ring Count 2
Rotatable Bond Count 6

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