2-amino-2-(2,3,5-trimethylphenyl)ethanol

C11H17NO — CID 117278132

IUPAC2-amino-2-(2,3,5-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C)c(C(N)CO)c1
InChIInChI=1S/C11H17NO/c1-7-4-8(2)9(3)10(5-7)11(12)6-13/h4-5,11,13H,6,12H2,1-3H3
InChIKeySVKCVDYUUACKGY-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.60
Rot. Bonds2

About 2-amino-2-(2,3,5-trimethylphenyl)ethanol

2-amino-2-(2,3,5-trimethylphenyl)ethanol (PubChem CID 117278132) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-amino-2-(2,3,5-trimethylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(2,3,5-trimethylphenyl)ethanol
PubChem CID117278132
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-amino-2-(2,3,5-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C)c(C(N)CO)c1
InChIInChI=1S/C11H17NO/c1-7-4-8(2)9(3)10(5-7)11(12)6-13/h4-5,11,13H,6,12H2,1-3H3
InChIKeySVKCVDYUUACKGY-UHFFFAOYSA-N
XLogP1.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-2-(2,3,5-trimethylphenyl)ethanol 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

(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
2-amino-2-(2,4,5-trimethylphenyl)ethanol
CID 17389879
2-amino-2-(4,5-dimethyl-2-methylsulfanylphenyl)ethanol
CID 117302199
2-amino-2-(3,5-dimethylphenyl)ethanol
CID 60756661
2-amino-2-(2-fluoro-4,5-dimethylphenyl)ethanol
CID 84769051
2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxy-4-methylphenol
CID 55277238
(2S)-2-amino-2-(2-iodo-5-methylphenyl)ethanol
CID 66515904
2-amino-2-(3,5-difluoro-2,4-dimethylphenyl)ethanol
CID 84776170
2-amino-2-(2-ethyl-5-methylphenyl)ethanol
CID 55283638
2-amino-2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
CID 117319704
2-amino-2-(6-methyl-1,3-benzodioxol-4-yl)ethanol
CID 117285168
3-amino-3-(3-fluoro-2,5-dimethylphenyl)propan-1-ol
CID 84774435

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,3,5-trimethylphenyl)ethanol?
The IUPAC name of 2-amino-2-(2,3,5-trimethylphenyl)ethanol (CID 117278132) is 2-amino-2-(2,3,5-trimethylphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(2,3,5-trimethylphenyl)ethanol?
The canonical SMILES for 2-amino-2-(2,3,5-trimethylphenyl)ethanol is Cc1cc(C)c(C)c(C(N)CO)c1.
What is the InChIKey of 2-amino-2-(2,3,5-trimethylphenyl)ethanol?
The InChIKey is SVKCVDYUUACKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-7-4-8(2)9(3)10(5-7)11(12)6-13/h4-5,11,13H,6,12H2,1-3H3.
What are the key properties of 2-amino-2-(2,3,5-trimethylphenyl)ethanol?
2-amino-2-(2,3,5-trimethylphenyl)ethanol has a molecular weight of 179.26 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,3,5-trimethylphenyl)ethanol is sourced from PubChem (CID 117278132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).