[1-[(2,6-difluorophenyl)methyl]-4-ethylcyclohexyl]methanamine

C16H23F2N — CID 114934762

IUPAC[1-[(2,6-difluorophenyl)methyl]-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)(Cc2c(F)cccc2F)CC1
InChIInChI=1S/C16H23F2N/c1-2-12-6-8-16(11-19,9-7-12)10-13-14(17)4-3-5-15(13)18/h3-5,12H,2,6-11,19H2,1H3
InChIKeyQJUQFEIGORZANH-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.05
Rot. Bonds4

About [1-[(2,6-difluorophenyl)methyl]-4-ethylcyclohexyl]methanamine

[1-[(2,6-difluorophenyl)methyl]-4-ethylcyclohexyl]methanamine (PubChem CID 114934762) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is [1-[(2,6-difluorophenyl)methyl]-4-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(2,6-difluorophenyl)methyl]-4-ethylcyclohexyl]methanamine
PubChem CID114934762
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name[1-[(2,6-difluorophenyl)methyl]-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)(Cc2c(F)cccc2F)CC1
InChIInChI=1S/C16H23F2N/c1-2-12-6-8-16(11-19,9-7-12)10-13-14(17)4-3-5-15(13)18/h3-5,12H,2,6-11,19H2,1H3
InChIKeyQJUQFEIGORZANH-UHFFFAOYSA-N
XLogP4.05
TPSA26.02 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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(5-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 103051053
[1-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 65392864
[4-ethyl-1-[(2-fluoro-3-nitrophenyl)methyl]cyclohexyl]methanamine
CID 107353703
[1-[(2-chloro-3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 112654779
[4-ethyl-1-[(2-methoxyphenyl)methyl]cyclohexyl]methanamine
CID 65394529
[3-[(2,6-difluorophenyl)methyl]oxolan-3-yl]methanamine
CID 114933501
1-[(2,3-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 65147733
[4-ethyl-1-(2-phenylsulfanylethyl)cyclohexyl]methanamine
CID 79224493
1-[4-ethyl-1-(2-fluorophenyl)cyclohexyl]-2-fluorobenzene
CID 22420584
[1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine
CID 107898531
[1-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methanamine
CID 65395570
1-[(2,6-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 114931200

Frequently Asked Questions

What is the IUPAC name of [1-[(2,6-difluorophenyl)methyl]-4-ethylcyclohexyl]methanamine?
The IUPAC name of [1-[(2,6-difluorophenyl)methyl]-4-ethylcyclohexyl]methanamine (CID 114934762) is [1-[(2,6-difluorophenyl)methyl]-4-ethylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(2,6-difluorophenyl)methyl]-4-ethylcyclohexyl]methanamine?
The canonical SMILES for [1-[(2,6-difluorophenyl)methyl]-4-ethylcyclohexyl]methanamine is CCC1CCC(CN)(Cc2c(F)cccc2F)CC1.
What is the InChIKey of [1-[(2,6-difluorophenyl)methyl]-4-ethylcyclohexyl]methanamine?
The InChIKey is QJUQFEIGORZANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-2-12-6-8-16(11-19,9-7-12)10-13-14(17)4-3-5-15(13)18/h3-5,12H,2,6-11,19H2,1H3.
What are the key properties of [1-[(2,6-difluorophenyl)methyl]-4-ethylcyclohexyl]methanamine?
[1-[(2,6-difluorophenyl)methyl]-4-ethylcyclohexyl]methanamine has a molecular weight of 267.36 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,6-difluorophenyl)methyl]-4-ethylcyclohexyl]methanamine is sourced from PubChem (CID 114934762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).