(1R,2S)-1-amino-1-(3-chloro-4-methylphenyl)pentan-2-ol;hydrochloride

C12H19Cl2NO — CID 171262306

IUPAC(1R,2S)-1-amino-1-(3-chloro-4-methylphenyl)pentan-2-ol;hydrochloride
SMILESCCC[C@H](O)[C@H](N)c1ccc(C)c(Cl)c1.Cl
InChIInChI=1S/C12H18ClNO.ClH/c1-3-4-11(15)12(14)9-6-5-8(2)10(13)7-9;/h5-7,11-12,15H,3-4,14H2,1-2H3;1H/t11-,12+;/m0./s1
InChIKeyNCNDPJUTEMHKJQ-ZVWHLABXSA-N
MW264.20 g/mol
LogP3.23
Rot. Bonds4

About (1R,2S)-1-amino-1-(3-chloro-4-methylphenyl)pentan-2-ol;hydrochloride

(1R,2S)-1-amino-1-(3-chloro-4-methylphenyl)pentan-2-ol;hydrochloride (PubChem CID 171262306) has the molecular formula C12H19Cl2NO and a molecular weight of 264.20 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(3-chloro-4-methylphenyl)pentan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(3-chloro-4-methylphenyl)pentan-2-ol;hydrochloride
PubChem CID171262306
Molecular FormulaC12H19Cl2NO
Molecular Weight264.20 g/mol
Exact Mass263.08
IUPAC Name(1R,2S)-1-amino-1-(3-chloro-4-methylphenyl)pentan-2-ol;hydrochloride
SMILESCCC[C@H](O)[C@H](N)c1ccc(C)c(Cl)c1.Cl
InChIInChI=1S/C12H18ClNO.ClH/c1-3-4-11(15)12(14)9-6-5-8(2)10(13)7-9;/h5-7,11-12,15H,3-4,14H2,1-2H3;1H/t11-,12+;/m0./s1
InChIKeyNCNDPJUTEMHKJQ-ZVWHLABXSA-N
XLogP3.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2S)-1-amino-1-(3-chloro-4-methylphenyl)pentan-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

(1R,2S)-1-amino-1-(4-fluoro-3-methylphenyl)pentan-2-ol;hydrochloride
CID 171262216
(1S,2R)-1-amino-1-(3-chloro-4-methylphenyl)-3-methylpentan-2-ol
CID 171267982
(1S,2R)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]pentan-2-ol;hydrochloride
CID 171269027
4-[(1S,2R)-1-amino-2-hydroxyhexyl]-2-chlorophenol;hydrochloride
CID 171267478
(1R,2S)-1-amino-1-(3,5-dichlorophenyl)pentan-2-ol;hydrochloride
CID 171160232
4-[(1R,2S)-1-amino-2-hydroxypentyl]-2,6-dimethylphenol;hydrochloride
CID 171262455
1-(3-chloro-4-methylphenyl)-2,2-difluoroethanamine
CID 103946952
(1S,2R)-1-amino-1-(3,4-dimethoxyphenyl)pentan-2-ol;hydrochloride
CID 171162200
6-[(1R,2S)-1-amino-2-hydroxypentyl]naphthalen-2-ol;hydrochloride
CID 171261493
(1S)-1-(3-chloro-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171223987
3-[(1S,2R)-1-amino-2-hydroxypentyl]phenol;hydrochloride
CID 171162121
4-[(1S,2R)-1-amino-2-hydroxypentyl]phenol
CID 171162104

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(3-chloro-4-methylphenyl)pentan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(3-chloro-4-methylphenyl)pentan-2-ol;hydrochloride (CID 171262306) is (1R,2S)-1-amino-1-(3-chloro-4-methylphenyl)pentan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(3-chloro-4-methylphenyl)pentan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(3-chloro-4-methylphenyl)pentan-2-ol;hydrochloride is CCC[C@H](O)[C@H](N)c1ccc(C)c(Cl)c1.Cl.
What is the InChIKey of (1R,2S)-1-amino-1-(3-chloro-4-methylphenyl)pentan-2-ol;hydrochloride?
The InChIKey is NCNDPJUTEMHKJQ-ZVWHLABXSA-N. The full InChI is InChI=1S/C12H18ClNO.ClH/c1-3-4-11(15)12(14)9-6-5-8(2)10(13)7-9;/h5-7,11-12,15H,3-4,14H2,1-2H3;1H/t11-,12+;/m0./s1.
What are the key properties of (1R,2S)-1-amino-1-(3-chloro-4-methylphenyl)pentan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(3-chloro-4-methylphenyl)pentan-2-ol;hydrochloride has a molecular weight of 264.20 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(3-chloro-4-methylphenyl)pentan-2-ol;hydrochloride is sourced from PubChem (CID 171262306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).