(1S)-1-amino-1-(2-chloro-4-methylphenyl)-2-methylpropan-2-ol

C11H16ClNO — CID 147216936

IUPAC(1S)-1-amino-1-(2-chloro-4-methylphenyl)-2-methylpropan-2-ol
SMILESCc1ccc([C@H](N)C(C)(C)O)c(Cl)c1
InChIInChI=1S/C11H16ClNO/c1-7-4-5-8(9(12)6-7)10(13)11(2,3)14/h4-6,10,14H,13H2,1-3H3/t10-/m0/s1
InChIKeyCGHNXRQNGAZWKB-JTQLQIEISA-N
MW213.71 g/mol
LogP2.42
Rot. Bonds2

About (1S)-1-amino-1-(2-chloro-4-methylphenyl)-2-methylpropan-2-ol

(1S)-1-amino-1-(2-chloro-4-methylphenyl)-2-methylpropan-2-ol (PubChem CID 147216936) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is (1S)-1-amino-1-(2-chloro-4-methylphenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name(1S)-1-amino-1-(2-chloro-4-methylphenyl)-2-methylpropan-2-ol
PubChem CID147216936
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name(1S)-1-amino-1-(2-chloro-4-methylphenyl)-2-methylpropan-2-ol
SMILESCc1ccc([C@H](N)C(C)(C)O)c(Cl)c1
InChIInChI=1S/C11H16ClNO/c1-7-4-5-8(9(12)6-7)10(13)11(2,3)14/h4-6,10,14H,13H2,1-3H3/t10-/m0/s1
InChIKeyCGHNXRQNGAZWKB-JTQLQIEISA-N
XLogP2.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S)-1-amino-1-(2-chloro-4-methylphenyl)-2-methylpropan-2-ol 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

(1S)-1-(2-chloro-4-methylphenyl)-2,2,2-trifluoroethanamine
CID 66511493
(1S)-1-(2-chloro-4-methylphenyl)ethanamine
CID 96956130
(1R)-1-(2-chloro-4-methylphenyl)-2-methylpropan-1-amine
CID 55273772
(4-tert-butylphenyl)-(2-chloro-4-methylphenyl)methanamine
CID 106857421
1-(4-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-amine
CID 112705508
(1S)-1-amino-2-methyl-1-(4-methylphenyl)propan-2-ol
CID 144598850
(2-chloro-4-methylphenyl)-cyclopropylmethanamine
CID 55268482
2-chloro-1-(4,4-dimethylpentan-2-yl)-4-methylbenzene
CID 58051292
(1S)-1-(2-chloro-4-methylphenyl)-3-methylbutan-1-amine
CID 99737671
2-(2-chloro-4-methylphenyl)propan-1-ol
CID 117279955
1-amino-1-(3,4-dichlorophenyl)-2-methylpropan-2-ol
CID 116942155
2-(1-amino-2,2-dimethylpropyl)-5-methylphenol
CID 130043389

Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-1-(2-chloro-4-methylphenyl)-2-methylpropan-2-ol?
The IUPAC name of (1S)-1-amino-1-(2-chloro-4-methylphenyl)-2-methylpropan-2-ol (CID 147216936) is (1S)-1-amino-1-(2-chloro-4-methylphenyl)-2-methylpropan-2-ol.
What is the SMILES notation for (1S)-1-amino-1-(2-chloro-4-methylphenyl)-2-methylpropan-2-ol?
The canonical SMILES for (1S)-1-amino-1-(2-chloro-4-methylphenyl)-2-methylpropan-2-ol is Cc1ccc([C@H](N)C(C)(C)O)c(Cl)c1.
What is the InChIKey of (1S)-1-amino-1-(2-chloro-4-methylphenyl)-2-methylpropan-2-ol?
The InChIKey is CGHNXRQNGAZWKB-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16ClNO/c1-7-4-5-8(9(12)6-7)10(13)11(2,3)14/h4-6,10,14H,13H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-1-amino-1-(2-chloro-4-methylphenyl)-2-methylpropan-2-ol?
(1S)-1-amino-1-(2-chloro-4-methylphenyl)-2-methylpropan-2-ol has a molecular weight of 213.71 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-1-(2-chloro-4-methylphenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 147216936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).