3-[1-(2,3-difluorophenyl)ethylamino]cyclohexan-1-ol

C14H19F2NO — CID 113352637

IUPAC3-[1-(2,3-difluorophenyl)ethylamino]cyclohexan-1-ol
SMILESCC(NC1CCCC(O)C1)c1cccc(F)c1F
InChIInChI=1S/C14H19F2NO/c1-9(12-6-3-7-13(15)14(12)16)17-10-4-2-5-11(18)8-10/h3,6-7,9-11,17-18H,2,4-5,8H2,1H3
InChIKeyVCAABCWZPHSYAE-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.92
Rot. Bonds3

About 3-[1-(2,3-difluorophenyl)ethylamino]cyclohexan-1-ol

3-[1-(2,3-difluorophenyl)ethylamino]cyclohexan-1-ol (PubChem CID 113352637) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-[1-(2,3-difluorophenyl)ethylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[1-(2,3-difluorophenyl)ethylamino]cyclohexan-1-ol
PubChem CID113352637
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name3-[1-(2,3-difluorophenyl)ethylamino]cyclohexan-1-ol
SMILESCC(NC1CCCC(O)C1)c1cccc(F)c1F
InChIInChI=1S/C14H19F2NO/c1-9(12-6-3-7-13(15)14(12)16)17-10-4-2-5-11(18)8-10/h3,6-7,9-11,17-18H,2,4-5,8H2,1H3
InChIKeyVCAABCWZPHSYAE-UHFFFAOYSA-N
XLogP2.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448317
3-(1-phenylethylamino)cyclohexan-1-ol
CID 43751335
3-[1-(2-nitrophenyl)ethylamino]cyclohexan-1-ol
CID 43751277
[2-[1-(2,3-difluorophenyl)ethylamino]cyclohexyl]methanol
CID 103924816
3-[1-(2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066344
3-[1-(2,5-dimethylphenyl)ethylamino]cyclohexan-1-ol
CID 43751115
3-[1-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol
CID 43751281
N-[1-(2-fluorophenyl)ethyl]cyclooctanamine
CID 43080224
3-[1-(3-fluorophenyl)propan-2-ylamino]cyclohexan-1-ol
CID 113260471
trans-(1S,2S)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]cyclopentan-1-ol
CID 102733815
3-(1-pyridin-4-ylethylamino)cyclohexan-1-ol
CID 43751306
3-[1-(4-bromophenyl)ethylamino]cyclohexan-1-ol
CID 43751203

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-difluorophenyl)ethylamino]cyclohexan-1-ol?
The IUPAC name of 3-[1-(2,3-difluorophenyl)ethylamino]cyclohexan-1-ol (CID 113352637) is 3-[1-(2,3-difluorophenyl)ethylamino]cyclohexan-1-ol.
What is the SMILES notation for 3-[1-(2,3-difluorophenyl)ethylamino]cyclohexan-1-ol?
The canonical SMILES for 3-[1-(2,3-difluorophenyl)ethylamino]cyclohexan-1-ol is CC(NC1CCCC(O)C1)c1cccc(F)c1F.
What is the InChIKey of 3-[1-(2,3-difluorophenyl)ethylamino]cyclohexan-1-ol?
The InChIKey is VCAABCWZPHSYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-9(12-6-3-7-13(15)14(12)16)17-10-4-2-5-11(18)8-10/h3,6-7,9-11,17-18H,2,4-5,8H2,1H3.
What are the key properties of 3-[1-(2,3-difluorophenyl)ethylamino]cyclohexan-1-ol?
3-[1-(2,3-difluorophenyl)ethylamino]cyclohexan-1-ol has a molecular weight of 255.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-difluorophenyl)ethylamino]cyclohexan-1-ol is sourced from PubChem (CID 113352637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).