(2,5-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine

C16H22F3N — CID 105120416

IUPAC(2,5-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESCc1ccc(C)c(C(N)C2CCCCC2C(F)(F)F)c1
InChIInChI=1S/C16H22F3N/c1-10-7-8-11(2)13(9-10)15(20)12-5-3-4-6-14(12)16(17,18)19/h7-9,12,14-15H,3-6,20H2,1-2H3
InChIKeyWRPKKCIIOIZNDY-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.67
Rot. Bonds2

About (2,5-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine

(2,5-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105120416) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105120416
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name(2,5-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESCc1ccc(C)c(C(N)C2CCCCC2C(F)(F)F)c1
InChIInChI=1S/C16H22F3N/c1-10-7-8-11(2)13(9-10)15(20)12-5-3-4-6-14(12)16(17,18)19/h7-9,12,14-15H,3-6,20H2,1-2H3
InChIKeyWRPKKCIIOIZNDY-UHFFFAOYSA-N
XLogP4.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105143022
(2,5-dimethylphenyl)-(2-methylcyclopropyl)methanamine
CID 43198556
1-(2,4-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105145370
(5-chloro-2-methoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105140994
2-cyclopropyl-1-(2,5-dimethylphenyl)propan-1-amine
CID 83154374
1-(2,5-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 175668922
(2,5-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 112680940
1-(2,5-dimethylphenyl)-2,2-difluoropropan-1-ol
CID 20684551
(2,5-dimethylphenyl)-(3-ethylcyclopentyl)methanamine
CID 65410620
1-(3,4-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105140403
[cyclohexyl-(2,5-dimethylphenyl)methyl]hydrazine
CID 105201807
1-(2,5-dimethylphenyl)ethanamine
CID 4991344

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of (2,5-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine (CID 105120416) is (2,5-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for (2,5-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for (2,5-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine is Cc1ccc(C)c(C(N)C2CCCCC2C(F)(F)F)c1.
What is the InChIKey of (2,5-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is WRPKKCIIOIZNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-10-7-8-11(2)13(9-10)15(20)12-5-3-4-6-14(12)16(17,18)19/h7-9,12,14-15H,3-6,20H2,1-2H3.
What are the key properties of (2,5-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
(2,5-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 285.35 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105120416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).