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

C15H16F3NS — CID 66475853

IUPAC1-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
SMILESCCC(N)c1ccc(-c2cc(C(F)(F)F)ccc2C)s1
InChIInChI=1S/C15H16F3NS/c1-3-12(19)14-7-6-13(20-14)11-8-10(15(16,17)18)5-4-9(11)2/h4-8,12H,3,19H2,1-2H3
InChIKeyMAJQRCDSYGFVCQ-UHFFFAOYSA-N
MW299.36 g/mol
LogP5.15
Rot. Bonds3

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

1-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine (PubChem CID 66475853) has the molecular formula C15H16F3NS and a molecular weight of 299.36 g/mol. Its IUPAC name is 1-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
PubChem CID66475853
Molecular FormulaC15H16F3NS
Molecular Weight299.36 g/mol
Exact Mass299.10
IUPAC Name1-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
SMILESCCC(N)c1ccc(-c2cc(C(F)(F)F)ccc2C)s1
InChIInChI=1S/C15H16F3NS/c1-3-12(19)14-7-6-13(20-14)11-8-10(15(16,17)18)5-4-9(11)2/h4-8,12H,3,19H2,1-2H3
InChIKeyMAJQRCDSYGFVCQ-UHFFFAOYSA-N
XLogP5.15
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 ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine?
The IUPAC name of 1-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine (CID 66475853) is 1-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine.
What is the SMILES notation for 1-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine?
The canonical SMILES for 1-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine is CCC(N)c1ccc(-c2cc(C(F)(F)F)ccc2C)s1.
What is the InChIKey of 1-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine?
The InChIKey is MAJQRCDSYGFVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NS/c1-3-12(19)14-7-6-13(20-14)11-8-10(15(16,17)18)5-4-9(11)2/h4-8,12H,3,19H2,1-2H3.
What are the key properties of 1-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine?
1-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine has a molecular weight of 299.36 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine is sourced from PubChem (CID 66475853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).