2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride

C10H16ClNO — CID 137346924

IUPAC2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride
SMILESCc1ccc(C(O)CN)c(C)c1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-7-3-4-9(8(2)5-7)10(12)6-11;/h3-5,10,12H,6,11H2,1-2H3;1H
InChIKeyZWLYLJRTIDMALJ-UHFFFAOYSA-N
MW201.70 g/mol
LogP1.72
Rot. Bonds2

About 2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride

2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride (PubChem CID 137346924) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride
PubChem CID137346924
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride
SMILESCc1ccc(C(O)CN)c(C)c1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-7-3-4-9(8(2)5-7)10(12)6-11;/h3-5,10,12H,6,11H2,1-2H3;1H
InChIKeyZWLYLJRTIDMALJ-UHFFFAOYSA-N
XLogP1.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride 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

(1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol
CID 93182212
1-(2,4-dimethylphenyl)-3,3-dimethylbutan-1-ol
CID 61100605
4-(2,4-dimethylphenyl)-4-hydroxybutanenitrile
CID 82075433
1-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanol
CID 66064203
(1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol
CID 131023872
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
1-(2,4-dimethylphenyl)-3-methylsulfonylpropan-1-ol
CID 65148088
1-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)ethanol
CID 82313394
3-amino-2-(2,4-dimethylphenyl)propanenitrile
CID 82503365
2-(4-aminopiperidin-1-yl)-1-(2,4-dimethylphenyl)ethanol
CID 56771247
2-(aminomethyl)-1-(2,4-dimethylphenyl)-2-methylbutan-1-ol
CID 79138441

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride?
The IUPAC name of 2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride (CID 137346924) is 2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride.
What is the SMILES notation for 2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride?
The canonical SMILES for 2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride is Cc1ccc(C(O)CN)c(C)c1.Cl.
What is the InChIKey of 2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride?
The InChIKey is ZWLYLJRTIDMALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-7-3-4-9(8(2)5-7)10(12)6-11;/h3-5,10,12H,6,11H2,1-2H3;1H.
What are the key properties of 2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride?
2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride is sourced from PubChem (CID 137346924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).