N-[(2-methylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine

C15H16F3NS — CID 102840771

IUPACN-[(2-methylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1ccc(C(F)(F)F)cc1)c1ccsc1C
InChIInChI=1S/C15H16F3NS/c1-3-19-14(13-8-9-20-10(13)2)11-4-6-12(7-5-11)15(16,17)18/h4-9,14,19H,3H2,1-2H3
InChIKeySRBCXZUBSGBNNF-UHFFFAOYSA-N
MW299.36 g/mol
LogP4.77
Rot. Bonds4

About N-[(2-methylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine

N-[(2-methylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 102840771) has the molecular formula C15H16F3NS and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[(2-methylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID102840771
Molecular FormulaC15H16F3NS
Molecular Weight299.36 g/mol
Exact Mass299.10
IUPAC NameN-[(2-methylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1ccc(C(F)(F)F)cc1)c1ccsc1C
InChIInChI=1S/C15H16F3NS/c1-3-19-14(13-8-9-20-10(13)2)11-4-6-12(7-5-11)15(16,17)18/h4-9,14,19H,3H2,1-2H3
InChIKeySRBCXZUBSGBNNF-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102841300
N-[(2-methylthiophen-3-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923988
N-[(2-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62790911
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 61331977
N-[[4-bromo-2-(trifluoromethyl)phenyl]-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102832268
N-[(2-methylthiophen-3-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 102841738
1-(4-tert-butylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841861
N-[(2-methyl-4-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 106756018
N-[[2-methyl-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]ethanamine
CID 102753570
N-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 102831849
[(4-tert-butylphenyl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102843361
N-[[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethyl]ethanamine
CID 102753616

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[(2-methylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine (CID 102840771) is N-[(2-methylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[(2-methylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[(2-methylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine is CCNC(c1ccc(C(F)(F)F)cc1)c1ccsc1C.
What is the InChIKey of N-[(2-methylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is SRBCXZUBSGBNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NS/c1-3-19-14(13-8-9-20-10(13)2)11-4-6-12(7-5-11)15(16,17)18/h4-9,14,19H,3H2,1-2H3.
What are the key properties of N-[(2-methylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine?
N-[(2-methylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 299.36 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 102840771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).