1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol;hydrochloride

C17H21Cl2NO2 — CID 17290395

IUPAC1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol;hydrochloride
SMILESCC(O)CNCc1ccc(OCc2ccc(Cl)cc2)cc1.Cl
InChIInChI=1S/C17H20ClNO2.ClH/c1-13(20)10-19-11-14-4-8-17(9-5-14)21-12-15-2-6-16(18)7-3-15;/h2-9,13,19-20H,10-12H2,1H3;1H
InChIKeyLCNRAJADUITKBM-UHFFFAOYSA-N
MW342.27 g/mol
LogP3.81
Rot. Bonds7

About 1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol;hydrochloride

1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol;hydrochloride (PubChem CID 17290395) has the molecular formula C17H21Cl2NO2 and a molecular weight of 342.27 g/mol. Its IUPAC name is 1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol;hydrochloride
PubChem CID17290395
Molecular FormulaC17H21Cl2NO2
Molecular Weight342.27 g/mol
Exact Mass341.09
IUPAC Name1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol;hydrochloride
SMILESCC(O)CNCc1ccc(OCc2ccc(Cl)cc2)cc1.Cl
InChIInChI=1S/C17H20ClNO2.ClH/c1-13(20)10-19-11-14-4-8-17(9-5-14)21-12-15-2-6-16(18)7-3-15;/h2-9,13,19-20H,10-12H2,1H3;1H
InChIKeyLCNRAJADUITKBM-UHFFFAOYSA-N
XLogP3.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 40761793
1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17290383
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290745
1-[2-[(4-chlorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17294470
(2S)-1-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 29188023
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 6458719
1-[(4-prop-2-enoxyphenyl)methylamino]propan-2-ol;hydrochloride
CID 17290477
(2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51996850
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]methanamine;hydrochloride
CID 17292549
2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
CID 4721972
(2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 103884134
1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol
CID 4715930

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol;hydrochloride?
The IUPAC name of 1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol;hydrochloride (CID 17290395) is 1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol;hydrochloride?
The canonical SMILES for 1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol;hydrochloride is CC(O)CNCc1ccc(OCc2ccc(Cl)cc2)cc1.Cl.
What is the InChIKey of 1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol;hydrochloride?
The InChIKey is LCNRAJADUITKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2.ClH/c1-13(20)10-19-11-14-4-8-17(9-5-14)21-12-15-2-6-16(18)7-3-15;/h2-9,13,19-20H,10-12H2,1H3;1H.
What are the key properties of 1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol;hydrochloride?
1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol;hydrochloride has a molecular weight of 342.27 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol;hydrochloride is sourced from PubChem (CID 17290395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).