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

C14H14F3NS — CID 134795379

IUPACN-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCN(Cc1ccsc1)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NS/c1-18(9-12-5-6-19-10-12)8-11-3-2-4-13(7-11)14(15,16)17/h2-7,10H,8-9H2,1H3
InChIKeyXIJDIQQIBUFAFV-UHFFFAOYSA-N
MW285.33 g/mol
LogP4.40
Rot. Bonds4

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

N-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 134795379) has the molecular formula C14H14F3NS and a molecular weight of 285.33 g/mol. Its IUPAC name is N-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID134795379
Molecular FormulaC14H14F3NS
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC NameN-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCN(Cc1ccsc1)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NS/c1-18(9-12-5-6-19-10-12)8-11-3-2-4-13(7-11)14(15,16)17/h2-7,10H,8-9H2,1H3
InChIKeyXIJDIQQIBUFAFV-UHFFFAOYSA-N
XLogP4.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine (CID 134795379) is N-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine is CN(Cc1ccsc1)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is XIJDIQQIBUFAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NS/c1-18(9-12-5-6-19-10-12)8-11-3-2-4-13(7-11)14(15,16)17/h2-7,10H,8-9H2,1H3.
What are the key properties of N-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine?
N-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 285.33 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(thiophen-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 134795379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).