N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine

C13H12F3NS — CID 1460717

IUPACN-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1cccc(CNCc2cccs2)c1
InChIInChI=1S/C13H12F3NS/c14-13(15,16)11-4-1-3-10(7-11)8-17-9-12-5-2-6-18-12/h1-7,17H,8-9H2
InChIKeyWHMFOJWVORIHKS-UHFFFAOYSA-N
MW271.31 g/mol
LogP4.06
Rot. Bonds4

About N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine

N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 1460717) has the molecular formula C13H12F3NS and a molecular weight of 271.31 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID1460717
Molecular FormulaC13H12F3NS
Molecular Weight271.31 g/mol
Exact Mass271.06
IUPAC NameN-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1cccc(CNCc2cccs2)c1
InChIInChI=1S/C13H12F3NS/c14-13(15,16)11-4-1-3-10(7-11)8-17-9-12-5-2-6-18-12/h1-7,17H,8-9H2
InChIKeyWHMFOJWVORIHKS-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 28668397
[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine
CID 115212986
[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride
CID 115615873
1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 119107424
5-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]thiophene-2-carboxylic acid
CID 103232638
N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43182177
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 60981806
1-(2-thiophen-2-ylethyl)-5-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]pyrrolidin-2-one
CID 45227087
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 55173216
N-(1H-pyrrol-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 55021234
1-[4-(trifluoromethoxy)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 55464693
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 54798944

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine (CID 1460717) is N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine is FC(F)(F)c1cccc(CNCc2cccs2)c1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is WHMFOJWVORIHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NS/c14-13(15,16)11-4-1-3-10(7-11)8-17-9-12-5-2-6-18-12/h1-7,17H,8-9H2.
What are the key properties of N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine?
N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 271.31 g/mol, XLogP of 4.06, 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-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 1460717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).