2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanamine

C17H26FNO — CID 107129246

IUPAC2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCCOC(C1CCCCC1)C(N)c1ccc(C)c(F)c1
InChIInChI=1S/C17H26FNO/c1-3-20-17(13-7-5-4-6-8-13)16(19)14-10-9-12(2)15(18)11-14/h9-11,13,16-17H,3-8,19H2,1-2H3
InChIKeyYNLCFVGEFBBGPL-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.12
Rot. Bonds5

About 2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanamine

2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanamine (PubChem CID 107129246) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanamine
PubChem CID107129246
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCCOC(C1CCCCC1)C(N)c1ccc(C)c(F)c1
InChIInChI=1S/C17H26FNO/c1-3-20-17(13-7-5-4-6-8-13)16(19)14-10-9-12(2)15(18)11-14/h9-11,13,16-17H,3-8,19H2,1-2H3
InChIKeyYNLCFVGEFBBGPL-UHFFFAOYSA-N
XLogP4.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-2-ethoxy-1-(4-fluoro-3-methylphenyl)ethanamine
CID 116772073
2-cyclohexyl-2-ethoxy-1-(4-methyl-3-pyridinyl)ethanamine
CID 116772054
2-cyclopropyl-1-(3,4-dimethoxyphenyl)-2-ethoxyethanamine
CID 116723089
2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 65459488
1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 54919033
[2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)ethyl]hydrazine
CID 105278882
2,2-difluoro-1-(3-fluoro-4-methylphenyl)ethanamine
CID 80605936
2-cyclohexyl-2-ethoxy-1-(2-ethoxyphenyl)ethanamine
CID 116771976
1-cyclohexyl-3-(2,6-dimethylphenyl)-1-ethoxypropan-2-amine
CID 116772041
3-(3-bromo-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
CID 116772018
2-cyclohexyl-1-(3,5-difluorophenyl)-2-ethoxyethanol
CID 116756591
2-cyclohexyl-1-(2,5-dimethylphenyl)-2-ethoxyethanol
CID 116756745

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanamine?
The IUPAC name of 2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanamine (CID 107129246) is 2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanamine?
The canonical SMILES for 2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanamine is CCOC(C1CCCCC1)C(N)c1ccc(C)c(F)c1.
What is the InChIKey of 2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanamine?
The InChIKey is YNLCFVGEFBBGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-3-20-17(13-7-5-4-6-8-13)16(19)14-10-9-12(2)15(18)11-14/h9-11,13,16-17H,3-8,19H2,1-2H3.
What are the key properties of 2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanamine?
2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanamine has a molecular weight of 279.40 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanamine is sourced from PubChem (CID 107129246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).