N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C15H14F3NS — CID 63419222

IUPACN-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESFC(F)(F)c1cccc(NC2CCCc3sccc32)c1
InChIInChI=1S/C15H14F3NS/c16-15(17,18)10-3-1-4-11(9-10)19-13-5-2-6-14-12(13)7-8-20-14/h1,3-4,7-9,13,19H,2,5-6H2
InChIKeyANQJJPWSPUVZHX-UHFFFAOYSA-N
MW297.35 g/mol
LogP5.26
Rot. Bonds2

About N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 63419222) has the molecular formula C15H14F3NS and a molecular weight of 297.35 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID63419222
Molecular FormulaC15H14F3NS
Molecular Weight297.35 g/mol
Exact Mass297.08
IUPAC NameN-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESFC(F)(F)c1cccc(NC2CCCc3sccc32)c1
InChIInChI=1S/C15H14F3NS/c16-15(17,18)10-3-1-4-11(9-10)19-13-5-2-6-14-12(13)7-8-20-14/h1,3-4,7-9,13,19H,2,5-6H2
InChIKeyANQJJPWSPUVZHX-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.35
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-chloro-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 63442256
N-(3-pyrrol-1-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 63445840
N-[3-(methoxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62841936
N-methyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzenesulfonamide
CID 62841074
methyl N-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]carbamate
CID 62841091
N-(3-chloro-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 55122390
5-fluoro-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 116530756
2-methyl-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzene-1,4-diamine
CID 62840971
4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzoic acid
CID 62841761
2-chloro-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzonitrile
CID 55121857
2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]ethanol
CID 62842148
N-[3-(trifluoromethyl)phenyl]thian-4-amine
CID 43511245

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 63419222) is N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is FC(F)(F)c1cccc(NC2CCCc3sccc32)c1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is ANQJJPWSPUVZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NS/c16-15(17,18)10-3-1-4-11(9-10)19-13-5-2-6-14-12(13)7-8-20-14/h1,3-4,7-9,13,19H,2,5-6H2.
What are the key properties of N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 297.35 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 63419222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).