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

C15H16F3NS — CID 82542305

IUPAC3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine
SMILESCC(CCN)c1ccc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C15H16F3NS/c1-10(7-8-19)13-5-6-14(20-13)11-3-2-4-12(9-11)15(16,17)18/h2-6,9-10H,7-8,19H2,1H3
InChIKeyYQXCTNMAVKJONW-UHFFFAOYSA-N
MW299.36 g/mol
LogP4.89
Rot. Bonds4

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

3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine (PubChem CID 82542305) has the molecular formula C15H16F3NS and a molecular weight of 299.36 g/mol. Its IUPAC name is 3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine.

Molecular Properties

Compound Name3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine
PubChem CID82542305
Molecular FormulaC15H16F3NS
Molecular Weight299.36 g/mol
Exact Mass299.10
IUPAC Name3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine
SMILESCC(CCN)c1ccc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C15H16F3NS/c1-10(7-8-19)13-5-6-14(20-13)11-3-2-4-12(9-11)15(16,17)18/h2-6,9-10H,7-8,19H2,1H3
InChIKeyYQXCTNMAVKJONW-UHFFFAOYSA-N
XLogP4.89
TPSA26.02 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 ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
CID 43154485
1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
CID 43331844
4-[5-(4-aminobutan-2-yl)thiophen-2-yl]-N,N-dimethylaniline
CID 82542602
2-propyl-5-[3-(trifluoromethyl)phenyl]thiophene
CID 164918327
3-[5-(2-chlorophenyl)thiophen-2-yl]butan-1-amine
CID 82542688
N-[(2S)-6-methylheptan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 92760464
1-[5-(3-fluorophenyl)thiophen-2-yl]ethanamine
CID 43154255
3-[5-(1-phenylpyrazol-4-yl)thiophen-2-yl]butan-1-amine
CID 82542315
5-methyl-3-[3-(trifluoromethyl)phenyl]hexan-1-amine
CID 112509136
N-[5-(diethylamino)pentan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46082931
1-[5-[3-bromo-5-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine
CID 65491239
1-[5-[3-bromo-5-(trifluoromethyl)phenyl]thiophen-2-yl]-2-methylpropan-1-amine
CID 65490846

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine?
The IUPAC name of 3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine (CID 82542305) is 3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine.
What is the SMILES notation for 3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine?
The canonical SMILES for 3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine is CC(CCN)c1ccc(-c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine?
The InChIKey is YQXCTNMAVKJONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NS/c1-10(7-8-19)13-5-6-14(20-13)11-3-2-4-12(9-11)15(16,17)18/h2-6,9-10H,7-8,19H2,1H3.
What are the key properties of 3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine?
3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine has a molecular weight of 299.36 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine is sourced from PubChem (CID 82542305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).