(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine

C16H22F3N — CID 105140713

IUPAC(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCc1cccc(C(N)C2CCC(C(F)(F)F)CC2)c1C
InChIInChI=1S/C16H22F3N/c1-10-4-3-5-14(11(10)2)15(20)12-6-8-13(9-7-12)16(17,18)19/h3-5,12-13,15H,6-9,20H2,1-2H3
InChIKeyCQKRNAZVRRGSCB-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.67
Rot. Bonds2

About (2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine

(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105140713) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105140713
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCc1cccc(C(N)C2CCC(C(F)(F)F)CC2)c1C
InChIInChI=1S/C16H22F3N/c1-10-4-3-5-14(11(10)2)15(20)12-6-8-13(9-7-12)16(17,18)19/h3-5,12-13,15H,6-9,20H2,1-2H3
InChIKeyCQKRNAZVRRGSCB-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

(R)-cyclopropyl-(2,3-dimethylphenyl)methanamine
CID 55278882
(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105091992
(R)-(2,3-dimethylphenyl)-(oxan-4-yl)methanamine
CID 131424754
(2-methoxyphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105093730
(2,3-dimethylphenyl)-(thiolan-3-yl)methanamine
CID 105140674
(4-tert-butylcyclohexyl)-(2-methylphenyl)methanamine
CID 65402354
(2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105149474
(3,5-dimethylcyclohexyl)-(2,3-dimethylphenyl)methanamine
CID 104988996
N-methyl-1-(2-methylphenyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105094933
cyclobutyl-(2-fluoro-3-methylphenyl)methanamine
CID 112630963
(5-methylthiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105162179
(1S)-1-(2,3-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 159492909

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of (2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine (CID 105140713) is (2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for (2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for (2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine is Cc1cccc(C(N)C2CCC(C(F)(F)F)CC2)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is CQKRNAZVRRGSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-10-4-3-5-14(11(10)2)15(20)12-6-8-13(9-7-12)16(17,18)19/h3-5,12-13,15H,6-9,20H2,1-2H3.
What are the key properties of (2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
(2,3-dimethylphenyl)-[4-(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 (2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105140713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).