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N-[(3-butoxyphenyl)methyl]-5-chloro-2-methylaniline

N-[(3-butoxyphenyl)methyl]-5-chloro-2-methylaniline

CAS: 1040685-25-3

Formula: C18H22ClNO

SMILES: CCCCOC1=CC=CC(CNC2=C(C)C=CC(Cl)=C2)=C1

IUPAC: N-[(3-butoxyphenyl)methyl]-5-chloro-2-methylaniline

InChI: InChI=1S/C18H22ClNO/c1-3-4-10-21-17-7-5-6-15(11-17)13-20-18-12-16(19)9-8-14(18)2/h5-9,11-12,20H,3-4,10,13H2,1-2H3

Composition: C (71.16%), H (7.30%), Cl (11.67%), N (4.61%), O (5.27%)

Molar Mass: 303.83

Atom Count: 43

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 303.138992
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey JQHSOTOTFLGFLW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 91.05
Topological Polar Surface Area 21.26
Polarizability 34.57
Ring Count 2
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1040685-25-3 $212.83$212.83
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