2-cyclohexyl-1-(2,3-difluoro-4-methylphenyl)ethanamine

C15H21F2N — CID 107515963

IUPAC2-cyclohexyl-1-(2,3-difluoro-4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)CC2CCCCC2)c(F)c1F
InChIInChI=1S/C15H21F2N/c1-10-7-8-12(15(17)14(10)16)13(18)9-11-5-3-2-4-6-11/h7-8,11,13H,2-6,9,18H2,1H3
InChIKeyKTDDDWSVSSQXEU-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.24
Rot. Bonds3

About 2-cyclohexyl-1-(2,3-difluoro-4-methylphenyl)ethanamine

2-cyclohexyl-1-(2,3-difluoro-4-methylphenyl)ethanamine (PubChem CID 107515963) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2,3-difluoro-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-1-(2,3-difluoro-4-methylphenyl)ethanamine
PubChem CID107515963
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name2-cyclohexyl-1-(2,3-difluoro-4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)CC2CCCCC2)c(F)c1F
InChIInChI=1S/C15H21F2N/c1-10-7-8-12(15(17)14(10)16)13(18)9-11-5-3-2-4-6-11/h7-8,11,13H,2-6,9,18H2,1H3
InChIKeyKTDDDWSVSSQXEU-UHFFFAOYSA-N
XLogP4.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-2-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 131568971
2-cyclopropyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 79016147
2-cyclopentyl-1-(2,4-dimethylphenyl)ethanamine
CID 43825536
1-(5-bromo-2-methylphenyl)-2-cyclohexylethanamine
CID 115842257
[cyclooctyl-(2,3-difluoro-4-methylphenyl)methyl]hydrazine
CID 107516472
2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
CID 65299332
1-(4-bromo-2-methylphenyl)-2-cyclopentylethanamine
CID 115847235
2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102841282
(1S)-1-(2,3-difluoro-4-methylphenyl)-3,3-difluoropropan-1-amine
CID 131304116
2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 65459488
2-cyclohexyl-1-(2,5-dibromo-4-methylphenyl)ethanamine
CID 81473835
(1R)-1-(2,3-difluoro-4-methylphenyl)propane-1,3-diamine
CID 131057437

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2,3-difluoro-4-methylphenyl)ethanamine?
The IUPAC name of 2-cyclohexyl-1-(2,3-difluoro-4-methylphenyl)ethanamine (CID 107515963) is 2-cyclohexyl-1-(2,3-difluoro-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-1-(2,3-difluoro-4-methylphenyl)ethanamine?
The canonical SMILES for 2-cyclohexyl-1-(2,3-difluoro-4-methylphenyl)ethanamine is Cc1ccc(C(N)CC2CCCCC2)c(F)c1F.
What is the InChIKey of 2-cyclohexyl-1-(2,3-difluoro-4-methylphenyl)ethanamine?
The InChIKey is KTDDDWSVSSQXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-10-7-8-12(15(17)14(10)16)13(18)9-11-5-3-2-4-6-11/h7-8,11,13H,2-6,9,18H2,1H3.
What are the key properties of 2-cyclohexyl-1-(2,3-difluoro-4-methylphenyl)ethanamine?
2-cyclohexyl-1-(2,3-difluoro-4-methylphenyl)ethanamine has a molecular weight of 253.34 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2,3-difluoro-4-methylphenyl)ethanamine is sourced from PubChem (CID 107515963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).