1-(3,4-difluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine

C16H23F2N — CID 55192396

IUPAC1-(3,4-difluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
SMILESCC1CCC(CNC(C)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H23F2N/c1-11-3-5-13(6-4-11)10-19-12(2)14-7-8-15(17)16(18)9-14/h7-9,11-13,19H,3-6,10H2,1-2H3
InChIKeyWIGUSKQKWJGXBB-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.44
Rot. Bonds4

About 1-(3,4-difluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine

1-(3,4-difluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine (PubChem CID 55192396) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
PubChem CID55192396
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name1-(3,4-difluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
SMILESCC1CCC(CNC(C)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H23F2N/c1-11-3-5-13(6-4-11)10-19-12(2)14-7-8-15(17)16(18)9-14/h7-9,11-13,19H,3-6,10H2,1-2H3
InChIKeyWIGUSKQKWJGXBB-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine
CID 43216007
(1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81369388
1-(3,4-difluorophenyl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 61013117
1-(4-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107411910
N-[(4-methylcyclohexyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 63462112
1-(3,4-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 61207729
1-(4-fluoro-3-methoxyphenyl)-N-[2-(4-methylcyclohexyl)ethyl]ethanamine
CID 83059488
(1S)-1-(3-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81382309
N-[(4-methylcyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 63464067
3-fluoro-4-[1-[(4-methylcyclohexyl)methylamino]ethyl]phenol
CID 107715127
1-(4-bromo-2-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 82963551
1-(3-bromo-4-fluorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 43775644

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine (CID 55192396) is 1-(3,4-difluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine is CC1CCC(CNC(C)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine?
The InChIKey is WIGUSKQKWJGXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-11-3-5-13(6-4-11)10-19-12(2)14-7-8-15(17)16(18)9-14/h7-9,11-13,19H,3-6,10H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine?
1-(3,4-difluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine has a molecular weight of 267.36 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 55192396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).