(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol

C10H15NO — CID 42579716

IUPAC(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
SMILESCc1ccc([C@H](N)CO)c(C)c1
InChIInChI=1S/C10H15NO/c1-7-3-4-9(8(2)5-7)10(11)6-12/h3-5,10,12H,6,11H2,1-2H3/t10-/m1/s1
InChIKeyZTBLTCBXRVNHQW-SNVBAGLBSA-N
MW165.24 g/mol
LogP1.30
Rot. Bonds2

About (2S)-2-amino-2-(2,4-dimethylphenyl)ethanol

(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol (PubChem CID 42579716) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (2S)-2-amino-2-(2,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
PubChem CID42579716
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
SMILESCc1ccc([C@H](N)CO)c(C)c1
InChIInChI=1S/C10H15NO/c1-7-3-4-9(8(2)5-7)10(11)6-12/h3-5,10,12H,6,11H2,1-2H3/t10-/m1/s1
InChIKeyZTBLTCBXRVNHQW-SNVBAGLBSA-N
XLogP1.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-diamino-3-(2,4-dimethylphenyl)propan-1-ol
CID 116942340
4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol
CID 66513632
2-[(1S)-1-amino-2-hydroxyethyl]-5-methylphenol
CID 55277705
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
(2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171201973
(2R)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171221518
(2S)-2-amino-2-(4-iodo-2-methylphenyl)ethanol
CID 66515906
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
2-amino-2-(4-bromo-2-methylphenyl)ethanol;hydrochloride
CID 138109643
2-[(1S)-1-amino-2-hydroxyethyl]-5-methylbenzoic acid
CID 55274516
2-amino-2-(2-ethyl-5-methylphenyl)ethanol
CID 55283638
(2S)-2-amino-2-(2-iodo-5-methylphenyl)ethanol
CID 66515904

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2,4-dimethylphenyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(2,4-dimethylphenyl)ethanol (CID 42579716) is (2S)-2-amino-2-(2,4-dimethylphenyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(2,4-dimethylphenyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(2,4-dimethylphenyl)ethanol is Cc1ccc([C@H](N)CO)c(C)c1.
What is the InChIKey of (2S)-2-amino-2-(2,4-dimethylphenyl)ethanol?
The InChIKey is ZTBLTCBXRVNHQW-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H15NO/c1-7-3-4-9(8(2)5-7)10(11)6-12/h3-5,10,12H,6,11H2,1-2H3/t10-/m1/s1.
What are the key properties of (2S)-2-amino-2-(2,4-dimethylphenyl)ethanol?
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol has a molecular weight of 165.24 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2,4-dimethylphenyl)ethanol is sourced from PubChem (CID 42579716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).