1-(5-amino-2-ethylphenyl)ethanol

C10H15NO — CID 143497915

IUPAC1-(5-amino-2-ethylphenyl)ethanol
SMILESCCc1ccc(N)cc1C(C)O
InChIInChI=1S/C10H15NO/c1-3-8-4-5-9(11)6-10(8)7(2)12/h4-7,12H,3,11H2,1-2H3
InChIKeySFMFNUDGHYOQJS-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.88
Rot. Bonds2

About 1-(5-amino-2-ethylphenyl)ethanol

1-(5-amino-2-ethylphenyl)ethanol (PubChem CID 143497915) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(5-amino-2-ethylphenyl)ethanol.

Molecular Properties

Compound Name1-(5-amino-2-ethylphenyl)ethanol
PubChem CID143497915
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(5-amino-2-ethylphenyl)ethanol
SMILESCCc1ccc(N)cc1C(C)O
InChIInChI=1S/C10H15NO/c1-3-8-4-5-9(11)6-10(8)7(2)12/h4-7,12H,3,11H2,1-2H3
InChIKeySFMFNUDGHYOQJS-UHFFFAOYSA-N
XLogP1.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.88
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-(5-amino-2-ethylphenyl)ethanol?
The IUPAC name of 1-(5-amino-2-ethylphenyl)ethanol (CID 143497915) is 1-(5-amino-2-ethylphenyl)ethanol.
What is the SMILES notation for 1-(5-amino-2-ethylphenyl)ethanol?
The canonical SMILES for 1-(5-amino-2-ethylphenyl)ethanol is CCc1ccc(N)cc1C(C)O.
What is the InChIKey of 1-(5-amino-2-ethylphenyl)ethanol?
The InChIKey is SFMFNUDGHYOQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-8-4-5-9(11)6-10(8)7(2)12/h4-7,12H,3,11H2,1-2H3.
What are the key properties of 1-(5-amino-2-ethylphenyl)ethanol?
1-(5-amino-2-ethylphenyl)ethanol has a molecular weight of 165.24 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-ethylphenyl)ethanol is sourced from PubChem (CID 143497915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).