2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine

C17H26FN — CID 115842003

IUPAC2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
SMILESCCNC(CC1CCCCC1)c1cc(C)ccc1F
InChIInChI=1S/C17H26FN/c1-3-19-17(12-14-7-5-4-6-8-14)15-11-13(2)9-10-16(15)18/h9-11,14,17,19H,3-8,12H2,1-2H3
InChIKeyVNWVAHHWFWZIEK-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.76
Rot. Bonds5

About 2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine

2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine (PubChem CID 115842003) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is 2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
PubChem CID115842003
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
SMILESCCNC(CC1CCCCC1)c1cc(C)ccc1F
InChIInChI=1S/C17H26FN/c1-3-19-17(12-14-7-5-4-6-8-14)15-11-13(2)9-10-16(15)18/h9-11,14,17,19H,3-8,12H2,1-2H3
InChIKeyVNWVAHHWFWZIEK-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 114457580
N-[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine
CID 115863518
[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine
CID 105309984
2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 114457630
2-cyclopentyl-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine
CID 103302742
1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 63418000
2-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-ethylethanamine
CID 63505858
2-cyclopentyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 60778145
1-(2-chloro-4-methylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 106857386
1-(4-bromo-2,5-difluorophenyl)-2-cycloheptyl-N-ethylethanamine
CID 114457690
1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 81045290
1-(2-bromo-5-methylphenyl)-2-cyclopropyl-N-ethylethanamine
CID 104986405

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine?
The IUPAC name of 2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine (CID 115842003) is 2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine?
The canonical SMILES for 2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine is CCNC(CC1CCCCC1)c1cc(C)ccc1F.
What is the InChIKey of 2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine?
The InChIKey is VNWVAHHWFWZIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-3-19-17(12-14-7-5-4-6-8-14)15-11-13(2)9-10-16(15)18/h9-11,14,17,19H,3-8,12H2,1-2H3.
What are the key properties of 2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine?
2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine has a molecular weight of 263.40 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine is sourced from PubChem (CID 115842003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).