1-(4-cyclopentylphenyl)-2-(propan-2-ylamino)ethanol

C16H25NO — CID 4677667

IUPAC1-(4-cyclopentylphenyl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)c1ccc(C2CCCC2)cc1
InChIInChI=1S/C16H25NO/c1-12(2)17-11-16(18)15-9-7-14(8-10-15)13-5-3-4-6-13/h7-10,12-13,16-18H,3-6,11H2,1-2H3
InChIKeyAZUPXLMDEBQPMR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.38
Rot. Bonds5

About 1-(4-cyclopentylphenyl)-2-(propan-2-ylamino)ethanol

1-(4-cyclopentylphenyl)-2-(propan-2-ylamino)ethanol (PubChem CID 4677667) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(4-cyclopentylphenyl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(4-cyclopentylphenyl)-2-(propan-2-ylamino)ethanol
PubChem CID4677667
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(4-cyclopentylphenyl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)c1ccc(C2CCCC2)cc1
InChIInChI=1S/C16H25NO/c1-12(2)17-11-16(18)15-9-7-14(8-10-15)13-5-3-4-6-13/h7-10,12-13,16-18H,3-6,11H2,1-2H3
InChIKeyAZUPXLMDEBQPMR-UHFFFAOYSA-N
XLogP3.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-cyclopentylphenyl)-2-(propan-2-ylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylphenyl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of 1-(4-cyclopentylphenyl)-2-(propan-2-ylamino)ethanol (CID 4677667) is 1-(4-cyclopentylphenyl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 1-(4-cyclopentylphenyl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 1-(4-cyclopentylphenyl)-2-(propan-2-ylamino)ethanol is CC(C)NCC(O)c1ccc(C2CCCC2)cc1.
What is the InChIKey of 1-(4-cyclopentylphenyl)-2-(propan-2-ylamino)ethanol?
The InChIKey is AZUPXLMDEBQPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)17-11-16(18)15-9-7-14(8-10-15)13-5-3-4-6-13/h7-10,12-13,16-18H,3-6,11H2,1-2H3.
What are the key properties of 1-(4-cyclopentylphenyl)-2-(propan-2-ylamino)ethanol?
1-(4-cyclopentylphenyl)-2-(propan-2-ylamino)ethanol has a molecular weight of 247.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylphenyl)-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 4677667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).