2-amino-2-(2-ethyl-5-methylphenyl)ethanol

C11H17NO — CID 55283638

IUPAC2-amino-2-(2-ethyl-5-methylphenyl)ethanol
SMILESCCc1ccc(C)cc1C(N)CO
InChIInChI=1S/C11H17NO/c1-3-9-5-4-8(2)6-10(9)11(12)7-13/h4-6,11,13H,3,7,12H2,1-2H3
InChIKeyDHKAJSMNXRNYLW-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.55
Rot. Bonds3

About 2-amino-2-(2-ethyl-5-methylphenyl)ethanol

2-amino-2-(2-ethyl-5-methylphenyl)ethanol (PubChem CID 55283638) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-amino-2-(2-ethyl-5-methylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(2-ethyl-5-methylphenyl)ethanol
PubChem CID55283638
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-amino-2-(2-ethyl-5-methylphenyl)ethanol
SMILESCCc1ccc(C)cc1C(N)CO
InChIInChI=1S/C11H17NO/c1-3-9-5-4-8(2)6-10(9)11(12)7-13/h4-6,11,13H,3,7,12H2,1-2H3
InChIKeyDHKAJSMNXRNYLW-UHFFFAOYSA-N
XLogP1.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2-ethyl-5-methylphenyl)butan-1-amine
CID 55296637
(2S)-2-amino-2-(2-iodo-5-methylphenyl)ethanol
CID 66515904
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
2-[(1S)-1-amino-2-hydroxyethyl]-5-methylphenol
CID 55277705
2-[(1S)-1-amino-2-hydroxyethyl]-5-methylbenzoic acid
CID 55274516
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
(2S)-2-amino-2-(5-methyl-2-nitrophenyl)ethanol
CID 130607743
2-(2-ethyl-5-methylphenyl)propan-1-amine
CID 117277659
(2R)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171221518
(2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171201973
2-(1-amino-2-hydroxyethyl)-5-methylbenzaldehyde
CID 117277988
4-(1-amino-2-hydroxyethyl)-6-ethylbenzene-1,3-diol
CID 84774316

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-ethyl-5-methylphenyl)ethanol?
The IUPAC name of 2-amino-2-(2-ethyl-5-methylphenyl)ethanol (CID 55283638) is 2-amino-2-(2-ethyl-5-methylphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(2-ethyl-5-methylphenyl)ethanol?
The canonical SMILES for 2-amino-2-(2-ethyl-5-methylphenyl)ethanol is CCc1ccc(C)cc1C(N)CO.
What is the InChIKey of 2-amino-2-(2-ethyl-5-methylphenyl)ethanol?
The InChIKey is DHKAJSMNXRNYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-9-5-4-8(2)6-10(9)11(12)7-13/h4-6,11,13H,3,7,12H2,1-2H3.
What are the key properties of 2-amino-2-(2-ethyl-5-methylphenyl)ethanol?
2-amino-2-(2-ethyl-5-methylphenyl)ethanol has a molecular weight of 179.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-ethyl-5-methylphenyl)ethanol is sourced from PubChem (CID 55283638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).