N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine

C13H18F3NS — CID 79072850

IUPACN-(thiophen-2-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESFC(F)(F)C1CCC(CNCc2cccs2)CC1
InChIInChI=1S/C13H18F3NS/c14-13(15,16)11-5-3-10(4-6-11)8-17-9-12-2-1-7-18-12/h1-2,7,10-11,17H,3-6,8-9H2
InChIKeyVEEIIDBVMWVKRU-UHFFFAOYSA-N
MW277.35 g/mol
LogP4.21
Rot. Bonds4

About N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine

N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 79072850) has the molecular formula C13H18F3NS and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID79072850
Molecular FormulaC13H18F3NS
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC NameN-(thiophen-2-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESFC(F)(F)C1CCC(CNCc2cccs2)CC1
InChIInChI=1S/C13H18F3NS/c14-13(15,16)11-5-3-10(4-6-11)8-17-9-12-2-1-7-18-12/h1-2,7,10-11,17H,3-6,8-9H2
InChIKeyVEEIIDBVMWVKRU-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

Analyze N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61151130
4-[(thiophen-2-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532069
N-(thiophen-3-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 119139537
1-(1-ethylpiperidin-3-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 115597499
1-(cyclopentylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47027615
(1R)-1-phenyl-2-[4-[(thiophen-2-ylmethylamino)methyl]piperidin-1-yl]ethanol
CID 95290947
1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)methanamine
CID 82711207
(2R,3R,4S)-2-[(thiophen-2-ylmethylamino)methyl]pyrrolidine-3,4-diol
CID 10988011
1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64756341
2-(4-tert-butylcyclohexyl)-2-(thiophen-2-ylmethylamino)ethanol
CID 104575807
2-[2-cyclopropyl-2-(cyclopropylmethyl)-3-thiophen-2-ylpropyl]thiophene
CID 57153297
1-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 129474083

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine (CID 79072850) is N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine is FC(F)(F)C1CCC(CNCc2cccs2)CC1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is VEEIIDBVMWVKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NS/c14-13(15,16)11-5-3-10(4-6-11)8-17-9-12-2-1-7-18-12/h1-2,7,10-11,17H,3-6,8-9H2.
What are the key properties of N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
N-(thiophen-2-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-2-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 79072850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).