2-cyclohexyloxy-1-(2,3-difluorophenyl)ethanamine

C14H19F2NO — CID 114058345

IUPAC2-cyclohexyloxy-1-(2,3-difluorophenyl)ethanamine
SMILESNC(COC1CCCCC1)c1cccc(F)c1F
InChIInChI=1S/C14H19F2NO/c15-12-8-4-7-11(14(12)16)13(17)9-18-10-5-2-1-3-6-10/h4,7-8,10,13H,1-3,5-6,9,17H2
InChIKeyVKFXNOMXQRFAKU-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.31
Rot. Bonds4

About 2-cyclohexyloxy-1-(2,3-difluorophenyl)ethanamine

2-cyclohexyloxy-1-(2,3-difluorophenyl)ethanamine (PubChem CID 114058345) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-cyclohexyloxy-1-(2,3-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyloxy-1-(2,3-difluorophenyl)ethanamine
PubChem CID114058345
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name2-cyclohexyloxy-1-(2,3-difluorophenyl)ethanamine
SMILESNC(COC1CCCCC1)c1cccc(F)c1F
InChIInChI=1S/C14H19F2NO/c15-12-8-4-7-11(14(12)16)13(17)9-18-10-5-2-1-3-6-10/h4,7-8,10,13H,1-3,5-6,9,17H2
InChIKeyVKFXNOMXQRFAKU-UHFFFAOYSA-N
XLogP3.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cycloheptyloxy-1-(2-fluorophenyl)ethanamine
CID 114058365
2-cyclohexyloxy-1-(2,5-difluorophenyl)ethanamine
CID 16793773
(1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine
CID 131113466
N-(2-cyclopentyloxyethyl)-1-(2,3-difluorophenyl)ethanamine
CID 103924748
(1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine
CID 130740137
(1S)-1-(2,3-difluorophenyl)propane-1,3-diamine
CID 130986814
2-cyclopentyloxy-1-(2,4-dimethylphenyl)ethanamine
CID 16787189
(2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride
CID 171204156
[cycloheptyl-(2,3-difluorophenyl)methyl]hydrazine
CID 105231971
2-cyclohexyloxy-2-(2-fluorophenyl)ethanamine
CID 55018547
2-(oxan-4-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 107523475
(1S)-1-(2,3-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313008

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-1-(2,3-difluorophenyl)ethanamine?
The IUPAC name of 2-cyclohexyloxy-1-(2,3-difluorophenyl)ethanamine (CID 114058345) is 2-cyclohexyloxy-1-(2,3-difluorophenyl)ethanamine.
What is the SMILES notation for 2-cyclohexyloxy-1-(2,3-difluorophenyl)ethanamine?
The canonical SMILES for 2-cyclohexyloxy-1-(2,3-difluorophenyl)ethanamine is NC(COC1CCCCC1)c1cccc(F)c1F.
What is the InChIKey of 2-cyclohexyloxy-1-(2,3-difluorophenyl)ethanamine?
The InChIKey is VKFXNOMXQRFAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c15-12-8-4-7-11(14(12)16)13(17)9-18-10-5-2-1-3-6-10/h4,7-8,10,13H,1-3,5-6,9,17H2.
What are the key properties of 2-cyclohexyloxy-1-(2,3-difluorophenyl)ethanamine?
2-cyclohexyloxy-1-(2,3-difluorophenyl)ethanamine has a molecular weight of 255.31 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-1-(2,3-difluorophenyl)ethanamine is sourced from PubChem (CID 114058345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).