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

C16H23F2NO — CID 103924886

IUPAC[1-[[1-(2,3-difluorophenyl)ethylamino]methyl]cyclohexyl]methanol
SMILESCC(NCC1(CO)CCCCC1)c1cccc(F)c1F
InChIInChI=1S/C16H23F2NO/c1-12(13-6-5-7-14(17)15(13)18)19-10-16(11-20)8-3-2-4-9-16/h5-7,12,19-20H,2-4,8-11H2,1H3
InChIKeyKTOXPBGRZVRXKV-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.56
Rot. Bonds5

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

[1-[[1-(2,3-difluorophenyl)ethylamino]methyl]cyclohexyl]methanol (PubChem CID 103924886) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is [1-[[1-(2,3-difluorophenyl)ethylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[1-(2,3-difluorophenyl)ethylamino]methyl]cyclohexyl]methanol
PubChem CID103924886
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name[1-[[1-(2,3-difluorophenyl)ethylamino]methyl]cyclohexyl]methanol
SMILESCC(NCC1(CO)CCCCC1)c1cccc(F)c1F
InChIInChI=1S/C16H23F2NO/c1-12(13-6-5-7-14(17)15(13)18)19-10-16(11-20)8-3-2-4-9-16/h5-7,12,19-20H,2-4,8-11H2,1H3
InChIKeyKTOXPBGRZVRXKV-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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Related Compounds

[1-[[1-(2-fluorophenyl)ethylamino]methyl]cyclohexyl]methanol
CID 81419006
[1-[[1-(2-chlorophenyl)ethylamino]methyl]cyclohexyl]methanol
CID 79985726
1-(2,3-difluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
CID 107269897
[1-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]cyclohexyl]methanol
CID 81419393
5-fluoro-2-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]phenol
CID 115358531
3-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]phenol
CID 81412551
[1-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358450
[1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol
CID 81419096
2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 113293749
[1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81412663
[1-[[1-[2-(difluoromethoxy)phenyl]ethylamino]methyl]cyclopropyl]methanol
CID 81344008
3-[1-(2,3-difluorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 103915795

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(2,3-difluorophenyl)ethylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[1-(2,3-difluorophenyl)ethylamino]methyl]cyclohexyl]methanol (CID 103924886) is [1-[[1-(2,3-difluorophenyl)ethylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[1-(2,3-difluorophenyl)ethylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[1-(2,3-difluorophenyl)ethylamino]methyl]cyclohexyl]methanol is CC(NCC1(CO)CCCCC1)c1cccc(F)c1F.
What is the InChIKey of [1-[[1-(2,3-difluorophenyl)ethylamino]methyl]cyclohexyl]methanol?
The InChIKey is KTOXPBGRZVRXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-12(13-6-5-7-14(17)15(13)18)19-10-16(11-20)8-3-2-4-9-16/h5-7,12,19-20H,2-4,8-11H2,1H3.
What are the key properties of [1-[[1-(2,3-difluorophenyl)ethylamino]methyl]cyclohexyl]methanol?
[1-[[1-(2,3-difluorophenyl)ethylamino]methyl]cyclohexyl]methanol 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-[[1-(2,3-difluorophenyl)ethylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 103924886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).