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

C14H14F3NS — CID 58793551

IUPAC5-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophen-2-amine
SMILESCc1cc(C(C)c2cccc(C(F)(F)F)c2)c(N)s1
InChIInChI=1S/C14H14F3NS/c1-8-6-12(13(18)19-8)9(2)10-4-3-5-11(7-10)14(15,16)17/h3-7,9H,18H2,1-2H3
InChIKeySELUYJQFAPMJHM-UHFFFAOYSA-N
MW285.33 g/mol
LogP4.81
Rot. Bonds2

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

5-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophen-2-amine (PubChem CID 58793551) has the molecular formula C14H14F3NS and a molecular weight of 285.33 g/mol. Its IUPAC name is 5-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophen-2-amine.

Molecular Properties

Compound Name5-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophen-2-amine
PubChem CID58793551
Molecular FormulaC14H14F3NS
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC Name5-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophen-2-amine
SMILESCc1cc(C(C)c2cccc(C(F)(F)F)c2)c(N)s1
InChIInChI=1S/C14H14F3NS/c1-8-6-12(13(18)19-8)9(2)10-4-3-5-11(7-10)14(15,16)17/h3-7,9H,18H2,1-2H3
InChIKeySELUYJQFAPMJHM-UHFFFAOYSA-N
XLogP4.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophen-2-amine?
The IUPAC name of 5-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophen-2-amine (CID 58793551) is 5-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophen-2-amine.
What is the SMILES notation for 5-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophen-2-amine?
The canonical SMILES for 5-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophen-2-amine is Cc1cc(C(C)c2cccc(C(F)(F)F)c2)c(N)s1.
What is the InChIKey of 5-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophen-2-amine?
The InChIKey is SELUYJQFAPMJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NS/c1-8-6-12(13(18)19-8)9(2)10-4-3-5-11(7-10)14(15,16)17/h3-7,9H,18H2,1-2H3.
What are the key properties of 5-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophen-2-amine?
5-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophen-2-amine has a molecular weight of 285.33 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophen-2-amine is sourced from PubChem (CID 58793551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).