[2-[1-(2,3-difluorophenyl)ethylamino]cyclohexyl]methanol

C15H21F2NO — CID 103924816

IUPAC[2-[1-(2,3-difluorophenyl)ethylamino]cyclohexyl]methanol
SMILESCC(NC1CCCCC1CO)c1cccc(F)c1F
InChIInChI=1S/C15H21F2NO/c1-10(12-6-4-7-13(16)15(12)17)18-14-8-3-2-5-11(14)9-19/h4,6-7,10-11,14,18-19H,2-3,5,8-9H2,1H3
InChIKeyQCPBYTOOUOLMCV-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.17
Rot. Bonds4

About [2-[1-(2,3-difluorophenyl)ethylamino]cyclohexyl]methanol

[2-[1-(2,3-difluorophenyl)ethylamino]cyclohexyl]methanol (PubChem CID 103924816) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is [2-[1-(2,3-difluorophenyl)ethylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[1-(2,3-difluorophenyl)ethylamino]cyclohexyl]methanol
PubChem CID103924816
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name[2-[1-(2,3-difluorophenyl)ethylamino]cyclohexyl]methanol
SMILESCC(NC1CCCCC1CO)c1cccc(F)c1F
InChIInChI=1S/C15H21F2NO/c1-10(12-6-4-7-13(16)15(12)17)18-14-8-3-2-5-11(14)9-19/h4,6-7,10-11,14,18-19H,2-3,5,8-9H2,1H3
InChIKeyQCPBYTOOUOLMCV-UHFFFAOYSA-N
XLogP3.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

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Related Compounds

2-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]phenol
CID 113383805
[2-(1-naphthalen-1-ylethylamino)cyclohexyl]methanol
CID 103729780
[2-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]methanol
CID 103784951
[2-[1-(2-bromophenyl)ethylamino]cyclohexyl]methanol
CID 113261895
2-ethyl-N-[1-(2-fluorophenyl)ethyl]cyclohexan-1-amine
CID 43709448
[2-[1-(2,4-dichlorophenyl)ethylamino]cyclohexyl]methanol
CID 103785005
[2-[1-(4-methylsulfanylphenyl)ethylamino]cyclohexyl]methanol
CID 103717066
3-[1-(2,3-difluorophenyl)ethylamino]cyclohexan-1-ol
CID 113352637
[2-[[2-amino-1-(2-fluorophenyl)ethyl]amino]cyclopentyl]methanol
CID 114178543
[(1R,4S)-4-[1-(2,3-difluorophenyl)ethylamino]cyclopent-2-en-1-yl]methanol
CID 86787513
[2-[1-(2-nitrophenyl)ethylamino]cyclopentyl]methanol
CID 103717133
2-[1-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]naphthalen-1-ol
CID 104582701

Frequently Asked Questions

What is the IUPAC name of [2-[1-(2,3-difluorophenyl)ethylamino]cyclohexyl]methanol?
The IUPAC name of [2-[1-(2,3-difluorophenyl)ethylamino]cyclohexyl]methanol (CID 103924816) is [2-[1-(2,3-difluorophenyl)ethylamino]cyclohexyl]methanol.
What is the SMILES notation for [2-[1-(2,3-difluorophenyl)ethylamino]cyclohexyl]methanol?
The canonical SMILES for [2-[1-(2,3-difluorophenyl)ethylamino]cyclohexyl]methanol is CC(NC1CCCCC1CO)c1cccc(F)c1F.
What is the InChIKey of [2-[1-(2,3-difluorophenyl)ethylamino]cyclohexyl]methanol?
The InChIKey is QCPBYTOOUOLMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-10(12-6-4-7-13(16)15(12)17)18-14-8-3-2-5-11(14)9-19/h4,6-7,10-11,14,18-19H,2-3,5,8-9H2,1H3.
What are the key properties of [2-[1-(2,3-difluorophenyl)ethylamino]cyclohexyl]methanol?
[2-[1-(2,3-difluorophenyl)ethylamino]cyclohexyl]methanol has a molecular weight of 269.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2,3-difluorophenyl)ethylamino]cyclohexyl]methanol is sourced from PubChem (CID 103924816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).