N-methyl-1-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]methanamine

C13H18F3NS — CID 105154131

IUPACN-methyl-1-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(c1ccsc1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H18F3NS/c1-17-12(10-6-7-18-8-10)9-2-4-11(5-3-9)13(14,15)16/h6-9,11-12,17H,2-5H2,1H3
InChIKeyKNSQEZAWHRVYCT-UHFFFAOYSA-N
MW277.35 g/mol
LogP4.38
Rot. Bonds3

About N-methyl-1-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]methanamine

N-methyl-1-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105154131) has the molecular formula C13H18F3NS and a molecular weight of 277.35 g/mol. Its IUPAC name is N-methyl-1-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105154131
Molecular FormulaC13H18F3NS
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC NameN-methyl-1-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(c1ccsc1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H18F3NS/c1-17-12(10-6-7-18-8-10)9-2-4-11(5-3-9)13(14,15)16/h6-9,11-12,17H,2-5H2,1H3
InChIKeyKNSQEZAWHRVYCT-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4-difluorocyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 105154096
[(4-tert-butylcyclohexyl)-thiophen-3-ylmethyl]hydrazine
CID 105232646
1-(3-chlorophenyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105106692
N-methyl-1-(5-methylthiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105162186
N-methyl-1-(2-methylphenyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105094933
N-[(4-tert-butylcyclohexyl)-thiophen-3-ylmethyl]propan-1-amine
CID 65415541
N-methyl-1-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105148778
N-methyl-1-(2-methylcyclopropyl)-1-thiophen-3-ylmethanamine
CID 65420629
N-methyl-1-(1-propylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105104088
1-(2,2-dimethylcyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 107189170
N-ethyl-3-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 105147842
1-thiophen-3-yl-1-[3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-amine
CID 114271769

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]methanamine (CID 105154131) is N-methyl-1-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]methanamine is CNC(c1ccsc1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-methyl-1-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is KNSQEZAWHRVYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NS/c1-17-12(10-6-7-18-8-10)9-2-4-11(5-3-9)13(14,15)16/h6-9,11-12,17H,2-5H2,1H3.
What are the key properties of N-methyl-1-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
N-methyl-1-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 277.35 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105154131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).