2-(4-amino-3-chloro-2-methylphenyl)propan-2-ol

C10H14ClNO — CID 22612285

IUPAC2-(4-amino-3-chloro-2-methylphenyl)propan-2-ol
SMILESCc1c(C(C)(C)O)ccc(N)c1Cl
InChIInChI=1S/C10H14ClNO/c1-6-7(10(2,3)13)4-5-8(12)9(6)11/h4-5,13H,12H2,1-3H3
InChIKeyLMNKQLJUNSHEPP-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.46
Rot. Bonds1

About 2-(4-amino-3-chloro-2-methylphenyl)propan-2-ol

2-(4-amino-3-chloro-2-methylphenyl)propan-2-ol (PubChem CID 22612285) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-(4-amino-3-chloro-2-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(4-amino-3-chloro-2-methylphenyl)propan-2-ol
PubChem CID22612285
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-(4-amino-3-chloro-2-methylphenyl)propan-2-ol
SMILESCc1c(C(C)(C)O)ccc(N)c1Cl
InChIInChI=1S/C10H14ClNO/c1-6-7(10(2,3)13)4-5-8(12)9(6)11/h4-5,13H,12H2,1-3H3
InChIKeyLMNKQLJUNSHEPP-UHFFFAOYSA-N
XLogP2.46
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-amino-3-chloro-2-methylphenyl)propan-2-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-(4-amino-3-chloro-2-methylphenyl)propan-2-ol?
The IUPAC name of 2-(4-amino-3-chloro-2-methylphenyl)propan-2-ol (CID 22612285) is 2-(4-amino-3-chloro-2-methylphenyl)propan-2-ol.
What is the SMILES notation for 2-(4-amino-3-chloro-2-methylphenyl)propan-2-ol?
The canonical SMILES for 2-(4-amino-3-chloro-2-methylphenyl)propan-2-ol is Cc1c(C(C)(C)O)ccc(N)c1Cl.
What is the InChIKey of 2-(4-amino-3-chloro-2-methylphenyl)propan-2-ol?
The InChIKey is LMNKQLJUNSHEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-6-7(10(2,3)13)4-5-8(12)9(6)11/h4-5,13H,12H2,1-3H3.
What are the key properties of 2-(4-amino-3-chloro-2-methylphenyl)propan-2-ol?
2-(4-amino-3-chloro-2-methylphenyl)propan-2-ol has a molecular weight of 199.68 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-chloro-2-methylphenyl)propan-2-ol is sourced from PubChem (CID 22612285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).