1-[1-(4-aminophenyl)cyclopropyl]ethanol

C11H15NO — CID 115014953

IUPAC1-[1-(4-aminophenyl)cyclopropyl]ethanol
SMILESCC(O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C11H15NO/c1-8(13)11(6-7-11)9-2-4-10(12)5-3-9/h2-5,8,13H,6-7,12H2,1H3
InChIKeyFKKBHSBDCBUOAR-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.68
Rot. Bonds2

About 1-[1-(4-aminophenyl)cyclopropyl]ethanol

1-[1-(4-aminophenyl)cyclopropyl]ethanol (PubChem CID 115014953) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-[1-(4-aminophenyl)cyclopropyl]ethanol.

Molecular Properties

Compound Name1-[1-(4-aminophenyl)cyclopropyl]ethanol
PubChem CID115014953
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-[1-(4-aminophenyl)cyclopropyl]ethanol
SMILESCC(O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C11H15NO/c1-8(13)11(6-7-11)9-2-4-10(12)5-3-9/h2-5,8,13H,6-7,12H2,1H3
InChIKeyFKKBHSBDCBUOAR-UHFFFAOYSA-N
XLogP1.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.68
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-[1-(4-aminophenyl)cyclopropyl]ethanol?
The IUPAC name of 1-[1-(4-aminophenyl)cyclopropyl]ethanol (CID 115014953) is 1-[1-(4-aminophenyl)cyclopropyl]ethanol.
What is the SMILES notation for 1-[1-(4-aminophenyl)cyclopropyl]ethanol?
The canonical SMILES for 1-[1-(4-aminophenyl)cyclopropyl]ethanol is CC(O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of 1-[1-(4-aminophenyl)cyclopropyl]ethanol?
The InChIKey is FKKBHSBDCBUOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8(13)11(6-7-11)9-2-4-10(12)5-3-9/h2-5,8,13H,6-7,12H2,1H3.
What are the key properties of 1-[1-(4-aminophenyl)cyclopropyl]ethanol?
1-[1-(4-aminophenyl)cyclopropyl]ethanol has a molecular weight of 177.25 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-aminophenyl)cyclopropyl]ethanol is sourced from PubChem (CID 115014953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).