2-[2-methyl-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine

C17H24F3N — CID 102756361

IUPAC2-[2-methyl-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCc1cc(C(F)(F)F)ccc1C1CC(C(C)C)CCC1N
InChIInChI=1S/C17H24F3N/c1-10(2)12-4-7-16(21)15(9-12)14-6-5-13(8-11(14)3)17(18,19)20/h5-6,8,10,12,15-16H,4,7,9,21H2,1-3H3
InChIKeyBRFASSOFNSALIZ-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.88
Rot. Bonds2

About 2-[2-methyl-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine

2-[2-methyl-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 102756361) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-[2-methyl-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[2-methyl-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID102756361
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name2-[2-methyl-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCc1cc(C(F)(F)F)ccc1C1CC(C(C)C)CCC1N
InChIInChI=1S/C17H24F3N/c1-10(2)12-4-7-16(21)15(9-12)14-6-5-13(8-11(14)3)17(18,19)20/h5-6,8,10,12,15-16H,4,7,9,21H2,1-3H3
InChIKeyBRFASSOFNSALIZ-UHFFFAOYSA-N
XLogP4.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 102756353
4-methyl-2-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 102756356
2-(2-methylphenyl)-4-propan-2-ylcyclohexan-1-amine
CID 81013335
2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexan-1-amine
CID 81013651
2-(2-methoxy-5-methylphenyl)-4-propan-2-ylcyclohexan-1-amine
CID 81014847
N-[[2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutyl]methyl]propan-2-amine
CID 102756432
2-(3-chlorophenyl)-4-propan-2-ylcyclohexan-1-amine
CID 81014080
2-(5-fluoro-3-pyridinyl)-4-propan-2-ylcyclohexan-1-amine
CID 81014840
[4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexyl]methanamine
CID 81012688
2-fluoro-1-[(1S,2R)-2-propan-2-ylcyclopropyl]-4-(trifluoromethyl)benzene
CID 167340103
trans-(1R,2S)-2-(2,4-dimethylphenyl)cyclopropan-1-amine
CID 93299529
2-(4-fluoro-2-methylphenyl)cyclohexan-1-amine
CID 62801431

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-[2-methyl-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine (CID 102756361) is 2-[2-methyl-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-[2-methyl-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-[2-methyl-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine is Cc1cc(C(F)(F)F)ccc1C1CC(C(C)C)CCC1N.
What is the InChIKey of 2-[2-methyl-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is BRFASSOFNSALIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c1-10(2)12-4-7-16(21)15(9-12)14-6-5-13(8-11(14)3)17(18,19)20/h5-6,8,10,12,15-16H,4,7,9,21H2,1-3H3.
What are the key properties of 2-[2-methyl-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine?
2-[2-methyl-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 299.38 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 102756361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).