2-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine

C15H16F3NS — CID 43154485

IUPAC2-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
SMILESCC(C)C(N)c1ccc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C15H16F3NS/c1-9(2)14(19)13-7-6-12(20-13)10-4-3-5-11(8-10)15(16,17)18/h3-9,14H,19H2,1-2H3
InChIKeyVYZSIVPEOZSESQ-UHFFFAOYSA-N
MW299.36 g/mol
LogP5.09
Rot. Bonds3

About 2-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine

2-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine (PubChem CID 43154485) has the molecular formula C15H16F3NS and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
PubChem CID43154485
Molecular FormulaC15H16F3NS
Molecular Weight299.36 g/mol
Exact Mass299.10
IUPAC Name2-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
SMILESCC(C)C(N)c1ccc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C15H16F3NS/c1-9(2)14(19)13-7-6-12(20-13)10-4-3-5-11(8-10)15(16,17)18/h3-9,14H,19H2,1-2H3
InChIKeyVYZSIVPEOZSESQ-UHFFFAOYSA-N
XLogP5.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.36
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-[3-bromo-5-(trifluoromethyl)phenyl]thiophen-2-yl]-2-methylpropan-1-amine
CID 65490846
1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
CID 43331844
3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine
CID 82542305
1-[5-(3,5-difluorophenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 43154231
1-[5-(3-fluorophenyl)thiophen-2-yl]ethanamine
CID 43154255
(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 170986461
1-[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 107577065
2-propyl-5-[3-(trifluoromethyl)phenyl]thiophene
CID 164918327
5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole
CID 113415724
N-[(2S)-6-methylheptan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 92760464
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]ethanamine
CID 94902136

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine (CID 43154485) is 2-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine is CC(C)C(N)c1ccc(-c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 2-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine?
The InChIKey is VYZSIVPEOZSESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NS/c1-9(2)14(19)13-7-6-12(20-13)10-4-3-5-11(8-10)15(16,17)18/h3-9,14H,19H2,1-2H3.
What are the key properties of 2-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine?
2-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine has a molecular weight of 299.36 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine is sourced from PubChem (CID 43154485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).