2-(2-cyclopentylethylamino)-1-(3,4-difluorophenyl)ethanol

C15H21F2NO — CID 54932887

IUPAC2-(2-cyclopentylethylamino)-1-(3,4-difluorophenyl)ethanol
SMILESOC(CNCCC1CCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO/c16-13-6-5-12(9-14(13)17)15(19)10-18-8-7-11-3-1-2-4-11/h5-6,9,11,15,18-19H,1-4,7-8,10H2
InChIKeyYVMNULPTQQLVAH-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.17
Rot. Bonds6

About 2-(2-cyclopentylethylamino)-1-(3,4-difluorophenyl)ethanol

2-(2-cyclopentylethylamino)-1-(3,4-difluorophenyl)ethanol (PubChem CID 54932887) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-(2-cyclopentylethylamino)-1-(3,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-cyclopentylethylamino)-1-(3,4-difluorophenyl)ethanol
PubChem CID54932887
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name2-(2-cyclopentylethylamino)-1-(3,4-difluorophenyl)ethanol
SMILESOC(CNCCC1CCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO/c16-13-6-5-12(9-14(13)17)15(19)10-18-8-7-11-3-1-2-4-11/h5-6,9,11,15,18-19H,1-4,7-8,10H2
InChIKeyYVMNULPTQQLVAH-UHFFFAOYSA-N
XLogP3.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-cyclopentylethylamino)-1-(3,4-difluorophenyl)ethanol with MolForge

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

Launch Full Analysis

Related Compounds

(1S)-2-(cycloheptylmethylamino)-1-(3,4-difluorophenyl)ethanol
CID 95972210
2-(2-cyclopentylethylamino)-1-phenylethanol
CID 60733935
2-(2-cyclohexylethylamino)-1-phenylethanol
CID 60752779
3-[[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclobutan-1-ol
CID 66006149
2-cyclohexylsulfanyl-1-(3,4-difluorophenyl)ethanol
CID 65139790
2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol
CID 81396113
2-cyclopentyl-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 60732970
3-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylpropanamide
CID 115582033
1-[[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cycloheptan-1-ol
CID 60763044
N-[2-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide
CID 54938960
2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol
CID 113260051
1-(3-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanol
CID 114515612

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylethylamino)-1-(3,4-difluorophenyl)ethanol?
The IUPAC name of 2-(2-cyclopentylethylamino)-1-(3,4-difluorophenyl)ethanol (CID 54932887) is 2-(2-cyclopentylethylamino)-1-(3,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-(2-cyclopentylethylamino)-1-(3,4-difluorophenyl)ethanol?
The canonical SMILES for 2-(2-cyclopentylethylamino)-1-(3,4-difluorophenyl)ethanol is OC(CNCCC1CCCC1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(2-cyclopentylethylamino)-1-(3,4-difluorophenyl)ethanol?
The InChIKey is YVMNULPTQQLVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c16-13-6-5-12(9-14(13)17)15(19)10-18-8-7-11-3-1-2-4-11/h5-6,9,11,15,18-19H,1-4,7-8,10H2.
What are the key properties of 2-(2-cyclopentylethylamino)-1-(3,4-difluorophenyl)ethanol?
2-(2-cyclopentylethylamino)-1-(3,4-difluorophenyl)ethanol has a molecular weight of 269.33 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylethylamino)-1-(3,4-difluorophenyl)ethanol is sourced from PubChem (CID 54932887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).