(2-aminophenyl)methanol

C7H9NO — CID 21439

IUPAC(2-aminophenyl)methanol
SMILESNc1ccccc1CO
InChIInChI=1S/C7H9NO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5,8H2
InChIKeyVYFOAVADNIHPTR-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.76
Rot. Bonds1

About (2-aminophenyl)methanol

(2-aminophenyl)methanol (PubChem CID 21439) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is (2-aminophenyl)methanol.

Molecular Properties

Compound Name(2-aminophenyl)methanol
PubChem CID21439
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name(2-aminophenyl)methanol
SMILESNc1ccccc1CO
InChIInChI=1S/C7H9NO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5,8H2
InChIKeyVYFOAVADNIHPTR-UHFFFAOYSA-N
XLogP0.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.76
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-aminophenyl)methanol?
The IUPAC name of (2-aminophenyl)methanol (CID 21439) is (2-aminophenyl)methanol.
What is the SMILES notation for (2-aminophenyl)methanol?
The canonical SMILES for (2-aminophenyl)methanol is Nc1ccccc1CO.
What is the InChIKey of (2-aminophenyl)methanol?
The InChIKey is VYFOAVADNIHPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5,8H2.
What are the key properties of (2-aminophenyl)methanol?
(2-aminophenyl)methanol has a molecular weight of 123.15 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)methanol is sourced from PubChem (CID 21439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).