N-(2-cyclohexyloxyethyl)-1-(2,4-difluorophenyl)ethanamine

C16H23F2NO — CID 63826183

IUPACN-(2-cyclohexyloxyethyl)-1-(2,4-difluorophenyl)ethanamine
SMILESCC(NCCOC1CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C16H23F2NO/c1-12(15-8-7-13(17)11-16(15)18)19-9-10-20-14-5-3-2-4-6-14/h7-8,11-12,14,19H,2-6,9-10H2,1H3
InChIKeyUTVGDKSIBPKQMN-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.96
Rot. Bonds6

About N-(2-cyclohexyloxyethyl)-1-(2,4-difluorophenyl)ethanamine

N-(2-cyclohexyloxyethyl)-1-(2,4-difluorophenyl)ethanamine (PubChem CID 63826183) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-1-(2,4-difluorophenyl)ethanamine.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-1-(2,4-difluorophenyl)ethanamine
PubChem CID63826183
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC NameN-(2-cyclohexyloxyethyl)-1-(2,4-difluorophenyl)ethanamine
SMILESCC(NCCOC1CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C16H23F2NO/c1-12(15-8-7-13(17)11-16(15)18)19-9-10-20-14-5-3-2-4-6-14/h7-8,11-12,14,19H,2-6,9-10H2,1H3
InChIKeyUTVGDKSIBPKQMN-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclopentyloxyethyl)-1-(2,3-difluorophenyl)ethanamine
CID 103924748
N-(2-cyclopentyloxyethyl)-1-(2,4-dichlorophenyl)ethanamine
CID 63824765
1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine
CID 43177273
N-(2-cyclopentyloxyethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 63824975
N-[1-(4-cyclohexyloxy-2-fluorophenyl)ethyl]propan-1-amine
CID 107717660
N-(2-cyclohexyloxyethyl)-1-(4-ethylphenyl)ethanamine
CID 63827990
2-cyclohexyloxy-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 55220336
N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine
CID 43080967
2-[1-(2-cyclopentyloxyethylamino)ethyl]-4-methylphenol
CID 55259523
1-(2,4-difluorophenyl)-N-[(2-methylcyclohexyl)methyl]ethanamine
CID 63453969
N-[1-(2-cyclopentyloxy-5-fluorophenyl)ethyl]propan-1-amine
CID 43284936
2-cyclohexyloxy-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115968035

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)-1-(2,4-difluorophenyl)ethanamine?
The IUPAC name of N-(2-cyclohexyloxyethyl)-1-(2,4-difluorophenyl)ethanamine (CID 63826183) is N-(2-cyclohexyloxyethyl)-1-(2,4-difluorophenyl)ethanamine.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-1-(2,4-difluorophenyl)ethanamine?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-1-(2,4-difluorophenyl)ethanamine is CC(NCCOC1CCCCC1)c1ccc(F)cc1F.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-1-(2,4-difluorophenyl)ethanamine?
The InChIKey is UTVGDKSIBPKQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-12(15-8-7-13(17)11-16(15)18)19-9-10-20-14-5-3-2-4-6-14/h7-8,11-12,14,19H,2-6,9-10H2,1H3.
What are the key properties of N-(2-cyclohexyloxyethyl)-1-(2,4-difluorophenyl)ethanamine?
N-(2-cyclohexyloxyethyl)-1-(2,4-difluorophenyl)ethanamine has a molecular weight of 283.36 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-1-(2,4-difluorophenyl)ethanamine is sourced from PubChem (CID 63826183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).