2-amino-2-(3,4-dimethylphenyl)propan-1-ol

C11H17NO — CID 61056221

IUPAC2-amino-2-(3,4-dimethylphenyl)propan-1-ol
SMILESCc1ccc(C(C)(N)CO)cc1C
InChIInChI=1S/C11H17NO/c1-8-4-5-10(6-9(8)2)11(3,12)7-13/h4-6,13H,7,12H2,1-3H3
InChIKeyBHCZJYXQRPDUPF-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.47
Rot. Bonds2

About 2-amino-2-(3,4-dimethylphenyl)propan-1-ol

2-amino-2-(3,4-dimethylphenyl)propan-1-ol (PubChem CID 61056221) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-amino-2-(3,4-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-2-(3,4-dimethylphenyl)propan-1-ol
PubChem CID61056221
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-amino-2-(3,4-dimethylphenyl)propan-1-ol
SMILESCc1ccc(C(C)(N)CO)cc1C
InChIInChI=1S/C11H17NO/c1-8-4-5-10(6-9(8)2)11(3,12)7-13/h4-6,13H,7,12H2,1-3H3
InChIKeyBHCZJYXQRPDUPF-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-2-(3,4-dimethylphenyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,4-dimethylphenyl)propan-1-ol?
The IUPAC name of 2-amino-2-(3,4-dimethylphenyl)propan-1-ol (CID 61056221) is 2-amino-2-(3,4-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 2-amino-2-(3,4-dimethylphenyl)propan-1-ol?
The canonical SMILES for 2-amino-2-(3,4-dimethylphenyl)propan-1-ol is Cc1ccc(C(C)(N)CO)cc1C.
What is the InChIKey of 2-amino-2-(3,4-dimethylphenyl)propan-1-ol?
The InChIKey is BHCZJYXQRPDUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-4-5-10(6-9(8)2)11(3,12)7-13/h4-6,13H,7,12H2,1-3H3.
What are the key properties of 2-amino-2-(3,4-dimethylphenyl)propan-1-ol?
2-amino-2-(3,4-dimethylphenyl)propan-1-ol has a molecular weight of 179.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,4-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 61056221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).