1-(2,4-difluorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol

C16H23F2NO — CID 61467080

IUPAC1-(2,4-difluorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol
SMILESCCC1CCCCC1NCC(O)c1ccc(F)cc1F
InChIInChI=1S/C16H23F2NO/c1-2-11-5-3-4-6-15(11)19-10-16(20)13-8-7-12(17)9-14(13)18/h7-9,11,15-16,19-20H,2-6,10H2,1H3
InChIKeyAQYORSGTAWGKLR-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.56
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol

1-(2,4-difluorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol (PubChem CID 61467080) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol
PubChem CID61467080
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name1-(2,4-difluorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol
SMILESCCC1CCCCC1NCC(O)c1ccc(F)cc1F
InChIInChI=1S/C16H23F2NO/c1-2-11-5-3-4-6-15(11)19-10-16(20)13-8-7-12(17)9-14(13)18/h7-9,11,15-16,19-20H,2-6,10H2,1H3
InChIKeyAQYORSGTAWGKLR-UHFFFAOYSA-N
XLogP3.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-difluorophenyl)-2-[(2-ethylcyclohexyl)amino]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

1-(2,5-dichlorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol
CID 63490841
N-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43709240
1-(2,4-difluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol
CID 115651887
2-[(2-ethylcyclopentyl)amino]-1-phenylethanol
CID 115706038
2-[[(2-ethylcyclohexyl)amino]methyl]-4-fluorophenol
CID 103948073
N-[1-(2,5-difluorophenyl)ethyl]-2-ethylcyclohexan-1-amine
CID 43709409
1-(2,4-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]ethanol
CID 115694377
1-(2,6-difluorophenyl)-2-[[2-(hydroxymethyl)cyclohexyl]amino]ethanol
CID 104934482
1-(2,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)ethanol
CID 103776797
1-(2,4-difluorophenyl)-2-(oxan-2-ylmethylamino)ethanol
CID 54941852
1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904159
2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol
CID 60900936

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol (CID 61467080) is 1-(2,4-difluorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol is CCC1CCCCC1NCC(O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol?
The InChIKey is AQYORSGTAWGKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-2-11-5-3-4-6-15(11)19-10-16(20)13-8-7-12(17)9-14(13)18/h7-9,11,15-16,19-20H,2-6,10H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol?
1-(2,4-difluorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol has a molecular weight of 283.36 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol is sourced from PubChem (CID 61467080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).