2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride

C11H18ClNO — CID 155487486

IUPAC2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride
SMILESCC(C)c1ccc(C(N)CO)cc1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-8(2)9-3-5-10(6-4-9)11(12)7-13;/h3-6,8,11,13H,7,12H2,1-2H3;1H
InChIKeyPLNUTKFHQUESSK-UHFFFAOYSA-N
MW215.72 g/mol
LogP2.22
Rot. Bonds3

About 2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride

2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride (PubChem CID 155487486) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is 2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride
PubChem CID155487486
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride
SMILESCC(C)c1ccc(C(N)CO)cc1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-8(2)9-3-5-10(6-4-9)11(12)7-13;/h3-6,8,11,13H,7,12H2,1-2H3;1H
InChIKeyPLNUTKFHQUESSK-UHFFFAOYSA-N
XLogP2.22
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-2-(4-propan-2-ylphenyl)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

(2R)-2-amino-2-(4-chlorophenyl)ethanol;hydrochloride
CID 67033243
(2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride
CID 135564298
4-[(1R)-1-amino-2-hydroxyethyl]phenol
CID 45083049
(1R)-2-fluoro-1-(4-propan-2-ylphenyl)ethanamine
CID 124704459
(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine;hydrochloride
CID 171200402
1-(4-propan-2-ylphenyl)butane-1,3-diamine
CID 116933197
2-amino-2-(4-fluorophenyl)ethanol
CID 14853201
(2S)-2-amino-2-phenylethanol;methanol
CID 160824062
(2R)-2-amino-2-(4-methylsulfonylphenyl)ethanol;hydrochloride
CID 142503487
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine
CID 78960974
2-amino-2-(4-ethylsulfanylphenyl)ethanol
CID 77129802

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride?
The IUPAC name of 2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride (CID 155487486) is 2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride.
What is the SMILES notation for 2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride?
The canonical SMILES for 2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride is CC(C)c1ccc(C(N)CO)cc1.Cl.
What is the InChIKey of 2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride?
The InChIKey is PLNUTKFHQUESSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.ClH/c1-8(2)9-3-5-10(6-4-9)11(12)7-13;/h3-6,8,11,13H,7,12H2,1-2H3;1H.
What are the key properties of 2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride?
2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride has a molecular weight of 215.72 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride is sourced from PubChem (CID 155487486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).