N-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]methanamine

C13H12F3NS — CID 43483425

IUPACN-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccc(C(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C13H12F3NS/c1-17-12(11-3-2-8-18-11)9-4-6-10(7-5-9)13(14,15)16/h2-8,12,17H,1H3
InChIKeyRCYNRJZCGGEVMA-UHFFFAOYSA-N
MW271.31 g/mol
LogP4.08
Rot. Bonds3

About N-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]methanamine

N-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 43483425) has the molecular formula C13H12F3NS and a molecular weight of 271.31 g/mol. Its IUPAC name is N-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID43483425
Molecular FormulaC13H12F3NS
Molecular Weight271.31 g/mol
Exact Mass271.06
IUPAC NameN-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccc(C(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C13H12F3NS/c1-17-12(11-3-2-8-18-11)9-4-6-10(7-5-9)13(14,15)16/h2-8,12,17H,1H3
InChIKeyRCYNRJZCGGEVMA-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43393729
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 107288722
N-methyl-1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)phenyl]methanamine
CID 55006914
1-(4-butan-2-ylphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43393747
1-(3-fluoro-4-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43483467
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-[4-(trifluoromethyl)phenyl]methanamine
CID 105142558
(R)-thiophen-2-yl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 171231154
N-[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]ethanamine
CID 102753433
1-(3-methoxyphenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 62791846
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 61331531
1-(3-chlorothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine
CID 80528883
1-(3-chloro-4-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 63086652

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]methanamine (CID 43483425) is N-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]methanamine is CNC(c1ccc(C(F)(F)F)cc1)c1cccs1.
What is the InChIKey of N-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is RCYNRJZCGGEVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NS/c1-17-12(11-3-2-8-18-11)9-4-6-10(7-5-9)13(14,15)16/h2-8,12,17H,1H3.
What are the key properties of N-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]methanamine?
N-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 271.31 g/mol, XLogP of 4.08, 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-2-yl-1-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 43483425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).