[2-(2,5-difluorophenyl)-4-methylcyclohexyl]methanamine

C14H19F2N — CID 81010421

IUPAC[2-(2,5-difluorophenyl)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(c2cc(F)ccc2F)C1
InChIInChI=1S/C14H19F2N/c1-9-2-3-10(8-17)12(6-9)13-7-11(15)4-5-14(13)16/h4-5,7,9-10,12H,2-3,6,8,17H2,1H3
InChIKeyMCDGXRDDKCHJMB-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.44
Rot. Bonds2

About [2-(2,5-difluorophenyl)-4-methylcyclohexyl]methanamine

[2-(2,5-difluorophenyl)-4-methylcyclohexyl]methanamine (PubChem CID 81010421) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is [2-(2,5-difluorophenyl)-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2,5-difluorophenyl)-4-methylcyclohexyl]methanamine
PubChem CID81010421
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name[2-(2,5-difluorophenyl)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(c2cc(F)ccc2F)C1
InChIInChI=1S/C14H19F2N/c1-9-2-3-10(8-17)12(6-9)13-7-11(15)4-5-14(13)16/h4-5,7,9-10,12H,2-3,6,8,17H2,1H3
InChIKeyMCDGXRDDKCHJMB-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexyl]methanamine
CID 81011940
[2-(4-chloro-2-fluorophenyl)-4-methylcyclohexyl]methanamine
CID 81010425
[4-tert-butyl-2-(2,4-difluorophenyl)cyclohexyl]methanamine
CID 81012914
[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methanamine
CID 106882856
[2-(2,4-difluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine
CID 81328856
[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]methanamine
CID 94556815
(4-methyl-2-naphthalen-1-ylcyclohexyl)methanamine
CID 81010085
N-[[2-(2-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]ethanamine
CID 81031795
N-[[2-(4-fluoro-2-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81032659
1-[2-(5-fluoro-2-methoxyphenyl)-4-methylcyclohexyl]-N-methylmethanamine
CID 82782631
[4-methyl-2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine
CID 81009765
[4-tert-butyl-2-(4-fluoro-2-methylphenyl)cyclohexyl]methanamine
CID 81011743

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-difluorophenyl)-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-(2,5-difluorophenyl)-4-methylcyclohexyl]methanamine (CID 81010421) is [2-(2,5-difluorophenyl)-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2,5-difluorophenyl)-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-(2,5-difluorophenyl)-4-methylcyclohexyl]methanamine is CC1CCC(CN)C(c2cc(F)ccc2F)C1.
What is the InChIKey of [2-(2,5-difluorophenyl)-4-methylcyclohexyl]methanamine?
The InChIKey is MCDGXRDDKCHJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-9-2-3-10(8-17)12(6-9)13-7-11(15)4-5-14(13)16/h4-5,7,9-10,12H,2-3,6,8,17H2,1H3.
What are the key properties of [2-(2,5-difluorophenyl)-4-methylcyclohexyl]methanamine?
[2-(2,5-difluorophenyl)-4-methylcyclohexyl]methanamine has a molecular weight of 239.31 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-difluorophenyl)-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 81010421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).