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

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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).