N-methyl-1-(3-methylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]methanamine

C16H22F3N — CID 105090899

IUPACN-methyl-1-(3-methylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(c1cccc(C)c1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C16H22F3N/c1-11-6-5-7-12(10-11)15(20-2)13-8-3-4-9-14(13)16(17,18)19/h5-7,10,13-15,20H,3-4,8-9H2,1-2H3
InChIKeyQELGVFPJPPAJBF-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.62
Rot. Bonds3

About N-methyl-1-(3-methylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]methanamine

N-methyl-1-(3-methylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105090899) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is N-methyl-1-(3-methylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105090899
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC NameN-methyl-1-(3-methylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(c1cccc(C)c1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C16H22F3N/c1-11-6-5-7-12(10-11)15(20-2)13-8-3-4-9-14(13)16(17,18)19/h5-7,10,13-15,20H,3-4,8-9H2,1-2H3
InChIKeyQELGVFPJPPAJBF-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105140403
1-cycloheptyl-N-methyl-1-(3-methylphenyl)methanamine
CID 65399402
1-cyclohexyl-N-methyl-1-(3-methylphenyl)methanamine
CID 60818000
1-(2,4-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105145370
N-methyl-1-(2-methylcyclopropyl)-1-(3-methylphenyl)methanamine
CID 65422773
N-methyl-1-(3-methylphenyl)-1-pyrrolidin-2-ylmethanamine
CID 116950968
1-(furan-2-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105147062
[(3-ethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105326392
N-methyl-4-[methylamino-(3-methylphenyl)methyl]cyclohexan-1-amine
CID 116952360
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115789805
N-[7-bicyclo[4.1.0]heptanyl-(3-methylphenyl)methyl]ethanamine
CID 115789774
1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 64774200

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-(3-methylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]methanamine (CID 105090899) is N-methyl-1-(3-methylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-(3-methylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-(3-methylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]methanamine is CNC(c1cccc(C)c1)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-methyl-1-(3-methylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is QELGVFPJPPAJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-11-6-5-7-12(10-11)15(20-2)13-8-3-4-9-14(13)16(17,18)19/h5-7,10,13-15,20H,3-4,8-9H2,1-2H3.
What are the key properties of N-methyl-1-(3-methylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]methanamine?
N-methyl-1-(3-methylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 285.35 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105090899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).