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

C13H18F3NS — CID 119139537

IUPACN-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESFC(F)(F)C1CCC(CNCc2ccsc2)CC1
InChIInChI=1S/C13H18F3NS/c14-13(15,16)12-3-1-10(2-4-12)7-17-8-11-5-6-18-9-11/h5-6,9-10,12,17H,1-4,7-8H2
InChIKeyJIIBYYSUDIBZKB-UHFFFAOYSA-N
MW277.35 g/mol
LogP4.21
Rot. Bonds4

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

N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 119139537) has the molecular formula C13H18F3NS and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID119139537
Molecular FormulaC13H18F3NS
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC NameN-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESFC(F)(F)C1CCC(CNCc2ccsc2)CC1
InChIInChI=1S/C13H18F3NS/c14-13(15,16)12-3-1-10(2-4-12)7-17-8-11-5-6-18-9-11/h5-6,9-10,12,17H,1-4,7-8H2
InChIKeyJIIBYYSUDIBZKB-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 79072850
2-cyclopentyl-N-(thiophen-3-ylmethyl)ethanamine
CID 60732816
3-cyclopentyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 115578432
tert-butyl 4-[(thiophen-3-ylmethylamino)methyl]piperidine-1-carboxylate
CID 78915930
1-(1-propylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride
CID 115592450
3-(2-cyclopropylethyl)thiophene
CID 159324839
N-ethyl-3-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 105147842
N-(cyclopropylmethyl)thiophen-3-amine
CID 66350326
1-(1-methylpyrrolidin-2-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride
CID 115593273
N-(cyclopropylmethyl)-2-(2-thiophen-3-ylethylamino)acetamide
CID 60976875
4-[(cyclobutylmethylamino)methyl]-N-methylaniline
CID 115212787
1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43298477

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine (CID 119139537) is N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine is FC(F)(F)C1CCC(CNCc2ccsc2)CC1.
What is the InChIKey of N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is JIIBYYSUDIBZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NS/c14-13(15,16)12-3-1-10(2-4-12)7-17-8-11-5-6-18-9-11/h5-6,9-10,12,17H,1-4,7-8H2.
What are the key properties of N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 277.35 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 119139537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).