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

C12H19NO — CID 93033161

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

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

(2S)-1-[(2,4-dimethylphenyl)methylamino]propan-2-ol (PubChem CID 93033161) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2S)-1-[(2,4-dimethylphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2,4-dimethylphenyl)methylamino]propan-2-ol
PubChem CID93033161
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2S)-1-[(2,4-dimethylphenyl)methylamino]propan-2-ol
SMILESCc1ccc(CNC[C@H](C)O)c(C)c1
InChIInChI=1S/C12H19NO/c1-9-4-5-12(10(2)6-9)8-13-7-11(3)14/h4-6,11,13-14H,7-8H2,1-3H3/t11-/m0/s1
InChIKeyGDESFLXOPRFHFU-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

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Related Compounds

(2S)-N-[(2,4-dimethylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 59084805
N-[(2,4-dimethylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 21355535
1-amino-3-[(2,4-dimethylphenyl)methylamino]propan-2-ol
CID 115121335
1-[(2,4-dimethylphenyl)methylamino]pentan-2-ol
CID 111118848
5-[(2,4-dimethylphenyl)methylamino]pentan-2-ol
CID 107267917
1-[(2-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17293836
N-[2-[(2,4-dimethylphenyl)methylamino]ethyl]-2-methylpropanamide
CID 28650775
1-[(2,5-dimethylphenyl)methylamino]-3-methylbutan-2-ol
CID 115630684
1-[(4-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17290382
1-[(2,4-dimethylphenyl)methylamino]propan-2-one
CID 115234682
(2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol
CID 93083054
1-[(3,4-dimethylphenyl)methylamino]propan-2-ol
CID 43220826

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2,4-dimethylphenyl)methylamino]propan-2-ol?
The IUPAC name of (2S)-1-[(2,4-dimethylphenyl)methylamino]propan-2-ol (CID 93033161) is (2S)-1-[(2,4-dimethylphenyl)methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2,4-dimethylphenyl)methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[(2,4-dimethylphenyl)methylamino]propan-2-ol is Cc1ccc(CNC[C@H](C)O)c(C)c1.
What is the InChIKey of (2S)-1-[(2,4-dimethylphenyl)methylamino]propan-2-ol?
The InChIKey is GDESFLXOPRFHFU-NSHDSACASA-N. The full InChI is InChI=1S/C12H19NO/c1-9-4-5-12(10(2)6-9)8-13-7-11(3)14/h4-6,11,13-14H,7-8H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-1-[(2,4-dimethylphenyl)methylamino]propan-2-ol?
(2S)-1-[(2,4-dimethylphenyl)methylamino]propan-2-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)-1-[(2,4-dimethylphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 93033161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).