(4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine

C15H19F4N — CID 105143022

IUPAC(4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESCc1cc(C(N)C2CCCCC2C(F)(F)F)ccc1F
InChIInChI=1S/C15H19F4N/c1-9-8-10(6-7-13(9)16)14(20)11-4-2-3-5-12(11)15(17,18)19/h6-8,11-12,14H,2-5,20H2,1H3
InChIKeyKMHIYPUMJDYIMR-UHFFFAOYSA-N
MW289.32 g/mol
LogP4.50
Rot. Bonds2

About (4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine

(4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105143022) has the molecular formula C15H19F4N and a molecular weight of 289.32 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105143022
Molecular FormulaC15H19F4N
Molecular Weight289.32 g/mol
Exact Mass289.15
IUPAC Name(4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESCc1cc(C(N)C2CCCCC2C(F)(F)F)ccc1F
InChIInChI=1S/C15H19F4N/c1-9-8-10(6-7-13(9)16)14(20)11-4-2-3-5-12(11)15(17,18)19/h6-8,11-12,14H,2-5,20H2,1H3
InChIKeyKMHIYPUMJDYIMR-UHFFFAOYSA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
CID 39244944
(2,5-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105120416
(4-fluoro-3-methylphenyl)-piperidin-2-ylmethanamine
CID 116935640
cyclopentyl-(4-fluoro-3-methylphenyl)methanol
CID 60929105
(R)-(4-fluoro-3-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314319
1-(3,4-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105140403
(1S)-2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride
CID 171247770
2,3-dihydro-1H-inden-2-yl-(4-fluoro-3-methylphenyl)methanamine
CID 65411297
(1S,2R)-2-amino-1-cyclobutyl-2-(4-fluoro-3-methylphenyl)ethanol
CID 171262203
(5-chloro-2-methoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105140994
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346
(1R,2S)-2-amino-1-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanol
CID 171267876

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of (4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine (CID 105143022) is (4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for (4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for (4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine is Cc1cc(C(N)C2CCCCC2C(F)(F)F)ccc1F.
What is the InChIKey of (4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is KMHIYPUMJDYIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4N/c1-9-8-10(6-7-13(9)16)14(20)11-4-2-3-5-12(11)15(17,18)19/h6-8,11-12,14H,2-5,20H2,1H3.
What are the key properties of (4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
(4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 289.32 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105143022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).