2-(3-aminophenyl)propan-2-ol

C9H13NO — CID 10261264

IUPAC2-(3-aminophenyl)propan-2-ol
SMILESCC(C)(O)c1cccc(N)c1
InChIInChI=1S/C9H13NO/c1-9(2,11)7-4-3-5-8(10)6-7/h3-6,11H,10H2,1-2H3
InChIKeyIYRJPNNPDGGYSU-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.50
Rot. Bonds1

About 2-(3-aminophenyl)propan-2-ol

2-(3-aminophenyl)propan-2-ol (PubChem CID 10261264) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-(3-aminophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-aminophenyl)propan-2-ol
PubChem CID10261264
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-(3-aminophenyl)propan-2-ol
SMILESCC(C)(O)c1cccc(N)c1
InChIInChI=1S/C9H13NO/c1-9(2,11)7-4-3-5-8(10)6-7/h3-6,11H,10H2,1-2H3
InChIKeyIYRJPNNPDGGYSU-UHFFFAOYSA-N
XLogP1.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)propan-2-ol?
The IUPAC name of 2-(3-aminophenyl)propan-2-ol (CID 10261264) is 2-(3-aminophenyl)propan-2-ol.
What is the SMILES notation for 2-(3-aminophenyl)propan-2-ol?
The canonical SMILES for 2-(3-aminophenyl)propan-2-ol is CC(C)(O)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)propan-2-ol?
The InChIKey is IYRJPNNPDGGYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-9(2,11)7-4-3-5-8(10)6-7/h3-6,11H,10H2,1-2H3.
What are the key properties of 2-(3-aminophenyl)propan-2-ol?
2-(3-aminophenyl)propan-2-ol has a molecular weight of 151.21 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)propan-2-ol is sourced from PubChem (CID 10261264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).