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N1-[(4-methoxyphenyl)methyl]cyclohexane-1,4-diamine hydrochloride

N1-[(4-methoxyphenyl)methyl]cyclohexane-1,4-diamine hydrochloride

Formula: C14H23ClN2O

SMILES: Cl.COC1=CC=C(CNC2CCC(N)CC2)C=C1

IUPAC: N1-[(4-methoxyphenyl)methyl]cyclohexane-1,4-diamine hydrochloride

InChI: InChI=1S/C14H22N2O.ClH/c1-17-14-8-2-11(3-9-14)10-16-13-6-4-12(15)5-7-13;/h2-3,8-9,12-13,16H,4-7,10,15H2,1H3;1H

Composition: C (62.10%), H (8.56%), Cl (13.09%), N (10.34%), O (5.91%)

Molar Mass: 270.8

Atom Count: 41

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 270.1498911
Formal Charge 0
FSP3 0.57
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey TUUOYOOZDFHILQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.11
Topological Polar Surface Area 47.28
Polarizability 28.08
Ring Count 2
Rotatable Bond Count 4

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