[2-(2,6-difluoro-3-methylphenyl)-4-propylcyclohexyl]methanamine

C17H25F2N — CID 82828508

IUPAC[2-(2,6-difluoro-3-methylphenyl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(c2c(F)ccc(C)c2F)C1
InChIInChI=1S/C17H25F2N/c1-3-4-12-6-7-13(10-20)14(9-12)16-15(18)8-5-11(2)17(16)19/h5,8,12-14H,3-4,6-7,9-10,20H2,1-2H3
InChIKeyXDDGUFGQLZASIC-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.53
Rot. Bonds4

About [2-(2,6-difluoro-3-methylphenyl)-4-propylcyclohexyl]methanamine

[2-(2,6-difluoro-3-methylphenyl)-4-propylcyclohexyl]methanamine (PubChem CID 82828508) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is [2-(2,6-difluoro-3-methylphenyl)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2,6-difluoro-3-methylphenyl)-4-propylcyclohexyl]methanamine
PubChem CID82828508
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC Name[2-(2,6-difluoro-3-methylphenyl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(c2c(F)ccc(C)c2F)C1
InChIInChI=1S/C17H25F2N/c1-3-4-12-6-7-13(10-20)14(9-12)16-15(18)8-5-11(2)17(16)19/h5,8,12-14H,3-4,6-7,9-10,20H2,1-2H3
InChIKeyXDDGUFGQLZASIC-UHFFFAOYSA-N
XLogP4.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexyl]methanamine
CID 106943871
[2-(4-fluorophenyl)-4-propylcyclohexyl]methanamine
CID 81012117
[2-(furan-3-yl)-4-propylcyclohexyl]methanamine
CID 81012027
2-(2,6-difluoro-3-methylphenyl)cyclobutan-1-amine
CID 82827536
2-(2,6-difluoro-3-methylphenyl)-4-ethylcyclohexane-1-carboxylic acid
CID 82828589
[2-(5-fluoro-1-benzofuran-2-yl)-4-propylcyclohexyl]methanamine
CID 114735548
2-(aminomethyl)-5-propylcyclohexan-1-amine
CID 62070306
[2-(2-methylphenyl)sulfanyl-4-propylcyclohexyl]methanamine
CID 63404568
[2-(3-bromo-2-fluorophenyl)-4-ethylcyclohexyl]methanamine
CID 106646962
[2-(4-methylphenyl)sulfanyl-4-propylcyclohexyl]methanamine
CID 43530264
[4-tert-butyl-2-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 107514718
[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methanamine
CID 106882856

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-difluoro-3-methylphenyl)-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-(2,6-difluoro-3-methylphenyl)-4-propylcyclohexyl]methanamine (CID 82828508) is [2-(2,6-difluoro-3-methylphenyl)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2,6-difluoro-3-methylphenyl)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-(2,6-difluoro-3-methylphenyl)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(c2c(F)ccc(C)c2F)C1.
What is the InChIKey of [2-(2,6-difluoro-3-methylphenyl)-4-propylcyclohexyl]methanamine?
The InChIKey is XDDGUFGQLZASIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-3-4-12-6-7-13(10-20)14(9-12)16-15(18)8-5-11(2)17(16)19/h5,8,12-14H,3-4,6-7,9-10,20H2,1-2H3.
What are the key properties of [2-(2,6-difluoro-3-methylphenyl)-4-propylcyclohexyl]methanamine?
[2-(2,6-difluoro-3-methylphenyl)-4-propylcyclohexyl]methanamine has a molecular weight of 281.39 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluoro-3-methylphenyl)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 82828508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).