3-{[(4-methoxyphenyl)methyl]amino}propan-1-ol hydrochloride

3-{[(4-methoxyphenyl)methyl]amino}propan-1-ol hydrochloride

CAS: 1609407-85-3

Formula: C11H18ClNO2

SMILES: Cl.COC1=CC=C(CNCCCO)C=C1

IUPAC: 3-{[(4-methoxyphenyl)methyl]amino}propan-1-ol hydrochloride

InChI: InChI=1S/C11H17NO2.ClH/c1-14-11-5-3-10(4-6-11)9-12-7-2-8-13;/h3-6,12-13H,2,7-9H2,1H3;1H

Composition: C (57.02%), H (7.83%), Cl (15.30%), N (6.04%), O (13.81%)

Molar Mass: 231.72

Atom Count: 33

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	231.1026065
Formal Charge	0
FSP3	0.45
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	MYDARCHOHZQGNG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.93
Topological Polar Surface Area	41.49
Polarizability	22.35
Ring Count	1
Rotatable Bond Count	6

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