1-(2,4-difluorophenyl)-N-[(2-methylcyclohexyl)methyl]ethanamine

C16H23F2N — CID 63453969

IUPAC1-(2,4-difluorophenyl)-N-[(2-methylcyclohexyl)methyl]ethanamine
SMILESCC(NCC1CCCCC1C)c1ccc(F)cc1F
InChIInChI=1S/C16H23F2N/c1-11-5-3-4-6-13(11)10-19-12(2)15-8-7-14(17)9-16(15)18/h7-9,11-13,19H,3-6,10H2,1-2H3
InChIKeyHSOKLSRLHOWWPD-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.44
Rot. Bonds4

About 1-(2,4-difluorophenyl)-N-[(2-methylcyclohexyl)methyl]ethanamine

1-(2,4-difluorophenyl)-N-[(2-methylcyclohexyl)methyl]ethanamine (PubChem CID 63453969) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-[(2-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-[(2-methylcyclohexyl)methyl]ethanamine
PubChem CID63453969
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name1-(2,4-difluorophenyl)-N-[(2-methylcyclohexyl)methyl]ethanamine
SMILESCC(NCC1CCCCC1C)c1ccc(F)cc1F
InChIInChI=1S/C16H23F2N/c1-11-5-3-4-6-13(11)10-19-12(2)15-8-7-14(17)9-16(15)18/h7-9,11-13,19H,3-6,10H2,1-2H3
InChIKeyHSOKLSRLHOWWPD-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

5-fluoro-2-[1-[(2-methylcyclopentyl)methylamino]ethyl]phenol
CID 107417292
1-(5-fluoro-2-pyridinyl)-N-[(2-methylcyclohexyl)methyl]ethanamine
CID 83117695
1-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80553557
N-(2-cyclohexyloxyethyl)-1-(2,4-difluorophenyl)ethanamine
CID 63826183
N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine
CID 43080967
1-(2,4-difluorophenyl)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]ethanamine
CID 103276257
1-(2-ethoxyphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107416791
N-[[2-(2,5-difluorophenyl)cycloheptyl]methyl]propan-2-amine
CID 81025099
2-[1-(cyclohexylmethylamino)ethyl]-5-fluorophenol
CID 63065844
N-[(2-methylcyclopentyl)methyl]-1-phenylethanamine
CID 107417351
(2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082006
(2R)-1-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082005

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-[(2-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-[(2-methylcyclohexyl)methyl]ethanamine (CID 63453969) is 1-(2,4-difluorophenyl)-N-[(2-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-[(2-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-[(2-methylcyclohexyl)methyl]ethanamine is CC(NCC1CCCCC1C)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-[(2-methylcyclohexyl)methyl]ethanamine?
The InChIKey is HSOKLSRLHOWWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-11-5-3-4-6-13(11)10-19-12(2)15-8-7-14(17)9-16(15)18/h7-9,11-13,19H,3-6,10H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-[(2-methylcyclohexyl)methyl]ethanamine?
1-(2,4-difluorophenyl)-N-[(2-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-(2,4-difluorophenyl)-N-[(2-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 63453969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).