(2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol

C12H19NO — CID 93083054

IUPAC(2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol
SMILESCc1ccc(CN[C@@H](C)CO)c(C)c1
InChIInChI=1S/C12H19NO/c1-9-4-5-12(10(2)6-9)7-13-11(3)8-14/h4-6,11,13-14H,7-8H2,1-3H3/t11-/m0/s1
InChIKeyJADPMJMCROVWIE-NSHDSACASA-N
MW193.29 g/mol
LogP1.77
Rot. Bonds4

About (2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol

(2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol (PubChem CID 93083054) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol
PubChem CID93083054
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol
SMILESCc1ccc(CN[C@@H](C)CO)c(C)c1
InChIInChI=1S/C12H19NO/c1-9-4-5-12(10(2)6-9)7-13-11(3)8-14/h4-6,11,13-14H,7-8H2,1-3H3/t11-/m0/s1
InChIKeyJADPMJMCROVWIE-NSHDSACASA-N
XLogP1.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-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

2-[(4-fluoro-2-methylphenyl)methylamino]propan-1-ol
CID 62135072
2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol
CID 95379080
2-N-[(2,4-dimethylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82946054
4-[(1-hydroxypropan-2-ylamino)methyl]-3-methylbenzonitrile
CID 114479854
3-[(2,4-dimethylphenyl)methylamino]butanamide
CID 115676436
N-[(2,4-dimethylphenyl)methyl]-6-methylheptan-2-amine
CID 43080523
1-[(2,4-dimethylphenyl)methyl]-3-(1-hydroxypropan-2-yl)urea
CID 110901359
N'-hydroxy-4-[(1-hydroxypropan-2-ylamino)methyl]-3-methylbenzenecarboximidamide
CID 114482743
(2S)-1-[(2,4-dimethylphenyl)methylamino]propan-2-ol
CID 93033161
2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-4,5-dimethylphenol
CID 103698714
tert-butyl N-[2-[(2,4-dimethylphenyl)methylamino]propyl]carbamate
CID 107248074
(3R)-3-[(2,5-dimethylphenyl)methylamino]butan-1-ol
CID 103854725

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol?
The IUPAC name of (2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol (CID 93083054) is (2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol.
What is the SMILES notation for (2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol?
The canonical SMILES for (2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol is Cc1ccc(CN[C@@H](C)CO)c(C)c1.
What is the InChIKey of (2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol?
The InChIKey is JADPMJMCROVWIE-NSHDSACASA-N. The full InChI is InChI=1S/C12H19NO/c1-9-4-5-12(10(2)6-9)7-13-11(3)8-14/h4-6,11,13-14H,7-8H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol?
(2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 93083054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).