N-methyl-1-(5-methylthiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine

C14H20F3NS — CID 105162186

IUPACN-methyl-1-(5-methylthiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(c1ccc(C)s1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H20F3NS/c1-9-3-8-12(19-9)13(18-2)10-4-6-11(7-5-10)14(15,16)17/h3,8,10-11,13,18H,4-7H2,1-2H3
InChIKeyXUBFUBNNTWQWCX-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.69
Rot. Bonds3

About N-methyl-1-(5-methylthiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine

N-methyl-1-(5-methylthiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105162186) has the molecular formula C14H20F3NS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-methyl-1-(5-methylthiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylthiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105162186
Molecular FormulaC14H20F3NS
Molecular Weight291.38 g/mol
Exact Mass291.13
IUPAC NameN-methyl-1-(5-methylthiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(c1ccc(C)s1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H20F3NS/c1-9-3-8-12(19-9)13(18-2)10-4-6-11(7-5-10)14(15,16)17/h3,8,10-11,13,18H,4-7H2,1-2H3
InChIKeyXUBFUBNNTWQWCX-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-methylthiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105162179
N-methyl-1-(2-methylphenyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105094933
[(4-tert-butylcyclohexyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105232678
N-methyl-1-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105154131
1-(4-tert-butylcyclohexyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 55196430
N-[(4-tert-butylcyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 63504364
N-methyl-1-(2-methylcyclopentyl)-1-(5-methylthiophen-2-yl)methanamine
CID 107177150
1-cyclopropyl-1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-methylmethanamine
CID 62813412
N-methyl-1-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105148778
1-(2,2-dimethylcyclohexyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 107177149
1-(3-chlorophenyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105106692
1-(2-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 81095858

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylthiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-(5-methylthiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine (CID 105162186) is N-methyl-1-(5-methylthiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-(5-methylthiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-(5-methylthiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine is CNC(c1ccc(C)s1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-methyl-1-(5-methylthiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is XUBFUBNNTWQWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NS/c1-9-3-8-12(19-9)13(18-2)10-4-6-11(7-5-10)14(15,16)17/h3,8,10-11,13,18H,4-7H2,1-2H3.
What are the key properties of N-methyl-1-(5-methylthiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
N-methyl-1-(5-methylthiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 291.38 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylthiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105162186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).