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

C10H15Cl2NO — CID 17290383

IUPAC1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride
SMILESCC(O)CNCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C10H14ClNO.ClH/c1-8(13)6-12-7-9-2-4-10(11)5-3-9;/h2-5,8,12-13H,6-7H2,1H3;1H
InChIKeyGGLOYVAIYPADLB-UHFFFAOYSA-N
MW236.14 g/mol
LogP2.23
Rot. Bonds4

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

1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride (PubChem CID 17290383) has the molecular formula C10H15Cl2NO and a molecular weight of 236.14 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride
PubChem CID17290383
Molecular FormulaC10H15Cl2NO
Molecular Weight236.14 g/mol
Exact Mass235.05
IUPAC Name1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride
SMILESCC(O)CNCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C10H14ClNO.ClH/c1-8(13)6-12-7-9-2-4-10(11)5-3-9;/h2-5,8,12-13H,6-7H2,1H3;1H
InChIKeyGGLOYVAIYPADLB-UHFFFAOYSA-N
XLogP2.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(4-chlorophenyl)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

1-[2-[(4-chlorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17294470
1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol;hydrochloride
CID 17290395
(2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 40761793
1-[(4-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17290382
1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol
CID 4723365
1-[(3,4-dichlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17293833
(2S)-1-[(3,5-dichlorophenyl)methylamino]propan-2-ol
CID 93304494
(2S)-1-(benzylamino)propan-2-ol
CID 964914
(2R)-1-[(4-tert-butylphenyl)methylamino]propan-2-ol
CID 39244971
1-[(4-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 60632998
(2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 103884134
(2S)-1-(pyridin-4-ylmethylamino)propan-2-ol
CID 964925

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride?
The IUPAC name of 1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride (CID 17290383) is 1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride?
The canonical SMILES for 1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride is CC(O)CNCc1ccc(Cl)cc1.Cl.
What is the InChIKey of 1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride?
The InChIKey is GGLOYVAIYPADLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO.ClH/c1-8(13)6-12-7-9-2-4-10(11)5-3-9;/h2-5,8,12-13H,6-7H2,1H3;1H.
What are the key properties of 1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride?
1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride has a molecular weight of 236.14 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride is sourced from PubChem (CID 17290383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).