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

C14H14F3NS — CID 43331844

IUPAC1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
SMILESCCC(N)c1ccc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C14H14F3NS/c1-2-11(18)13-7-6-12(19-13)9-4-3-5-10(8-9)14(15,16)17/h3-8,11H,2,18H2,1H3
InChIKeyQFMHULBLZGDPKY-UHFFFAOYSA-N
MW285.33 g/mol
LogP4.84
Rot. Bonds3

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

1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine (PubChem CID 43331844) has the molecular formula C14H14F3NS and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
PubChem CID43331844
Molecular FormulaC14H14F3NS
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC Name1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
SMILESCCC(N)c1ccc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C14H14F3NS/c1-2-11(18)13-7-6-12(19-13)9-4-3-5-10(8-9)14(15,16)17/h3-8,11H,2,18H2,1H3
InChIKeyQFMHULBLZGDPKY-UHFFFAOYSA-N
XLogP4.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 54.84
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
3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine
CID 82542305
1-[5-[3-bromo-5-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine
CID 65491239
2-propyl-5-[3-(trifluoromethyl)phenyl]thiophene
CID 164918327
1-[5-(3-chloro-4-methylphenyl)thiophen-2-yl]propan-1-amine
CID 43154192
1-(5-quinolin-6-ylthiophen-2-yl)propan-1-amine
CID 62634602
1-[5-(3-fluorophenyl)thiophen-2-yl]ethanamine
CID 43154255
1-[5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine
CID 43154441
1-[5-[3-bromo-5-(trifluoromethyl)phenyl]thiophen-2-yl]-2-methylpropan-1-amine
CID 65490846
1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 61032956
butan-2-amine;3-(trifluoromethyl)phenol
CID 160848796
N-[(2S)-6-methylheptan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 92760464

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine?
The IUPAC name of 1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine (CID 43331844) is 1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine.
What is the SMILES notation for 1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine?
The canonical SMILES for 1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine is CCC(N)c1ccc(-c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine?
The InChIKey is QFMHULBLZGDPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NS/c1-2-11(18)13-7-6-12(19-13)9-4-3-5-10(8-9)14(15,16)17/h3-8,11H,2,18H2,1H3.
What are the key properties of 1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine?
1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine has a molecular weight of 285.33 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine is sourced from PubChem (CID 43331844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).