2-{[(4-fluorophenyl)methyl]amino}butan-1-ol hydrochloride

2-{[(4-fluorophenyl)methyl]amino}butan-1-ol hydrochloride

CAS: 1048673-59-1

Formula: C11H17ClFNO

SMILES: Cl.CCC(CO)NCC1=CC=C(F)C=C1

IUPAC: 2-{[(4-fluorophenyl)methyl]amino}butan-1-ol hydrochloride

InChI: InChI=1/C11H16FNO.ClH/c1-2-11(8-14)13-7-9-3-5-10(12)6-4-9;/h3-6,11,13-14H,2,7-8H2,1H3;1H

Composition: C (56.53%), H (7.33%), Cl (15.17%), F (8.13%), N (5.99%), O (6.85%)

Molar Mass: 233.71

Atom Count: 32

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	233.09827
Formal Charge	0
FSP3	0.45
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	VEVBQGAVPYMYHV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.76
Topological Polar Surface Area	32.26
Polarizability	21.33
Ring Count	1
Rotatable Bond Count	5

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