1-(2-amino-3-methylphenyl)ethanol

C9H13NO — CID 102330434

IUPAC1-(2-amino-3-methylphenyl)ethanol
SMILESCc1cccc(C(C)O)c1N
InChIInChI=1S/C9H13NO/c1-6-4-3-5-8(7(2)11)9(6)10/h3-5,7,11H,10H2,1-2H3
InChIKeyRNQMERCPVXXHIB-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.63
Rot. Bonds1

About 1-(2-amino-3-methylphenyl)ethanol

1-(2-amino-3-methylphenyl)ethanol (PubChem CID 102330434) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(2-amino-3-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-amino-3-methylphenyl)ethanol
PubChem CID102330434
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-(2-amino-3-methylphenyl)ethanol
SMILESCc1cccc(C(C)O)c1N
InChIInChI=1S/C9H13NO/c1-6-4-3-5-8(7(2)11)9(6)10/h3-5,7,11H,10H2,1-2H3
InChIKeyRNQMERCPVXXHIB-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
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-amino-3-methylphenyl)ethanol?
The IUPAC name of 1-(2-amino-3-methylphenyl)ethanol (CID 102330434) is 1-(2-amino-3-methylphenyl)ethanol.
What is the SMILES notation for 1-(2-amino-3-methylphenyl)ethanol?
The canonical SMILES for 1-(2-amino-3-methylphenyl)ethanol is Cc1cccc(C(C)O)c1N.
What is the InChIKey of 1-(2-amino-3-methylphenyl)ethanol?
The InChIKey is RNQMERCPVXXHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-6-4-3-5-8(7(2)11)9(6)10/h3-5,7,11H,10H2,1-2H3.
What are the key properties of 1-(2-amino-3-methylphenyl)ethanol?
1-(2-amino-3-methylphenyl)ethanol has a molecular weight of 151.21 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methylphenyl)ethanol is sourced from PubChem (CID 102330434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).