1-(2-aminophenyl)propan-2-ol

C9H13NO — CID 11240588

IUPAC1-(2-aminophenyl)propan-2-ol
SMILESCC(O)Cc1ccccc1N
InChIInChI=1S/C9H13NO/c1-7(11)6-8-4-2-3-5-9(8)10/h2-5,7,11H,6,10H2,1H3
InChIKeyFTQBIKFTBHLHMF-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.19
Rot. Bonds2

About 1-(2-aminophenyl)propan-2-ol

1-(2-aminophenyl)propan-2-ol (PubChem CID 11240588) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(2-aminophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-aminophenyl)propan-2-ol
PubChem CID11240588
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-(2-aminophenyl)propan-2-ol
SMILESCC(O)Cc1ccccc1N
InChIInChI=1S/C9H13NO/c1-7(11)6-8-4-2-3-5-9(8)10/h2-5,7,11H,6,10H2,1H3
InChIKeyFTQBIKFTBHLHMF-UHFFFAOYSA-N
XLogP1.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.19
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 1-(2-aminophenyl)propan-2-ol?
The IUPAC name of 1-(2-aminophenyl)propan-2-ol (CID 11240588) is 1-(2-aminophenyl)propan-2-ol.
What is the SMILES notation for 1-(2-aminophenyl)propan-2-ol?
The canonical SMILES for 1-(2-aminophenyl)propan-2-ol is CC(O)Cc1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)propan-2-ol?
The InChIKey is FTQBIKFTBHLHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7(11)6-8-4-2-3-5-9(8)10/h2-5,7,11H,6,10H2,1H3.
What are the key properties of 1-(2-aminophenyl)propan-2-ol?
1-(2-aminophenyl)propan-2-ol has a molecular weight of 151.21 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)propan-2-ol is sourced from PubChem (CID 11240588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).