1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanamine

C16H12F3NS — CID 43150849

IUPAC1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(C(F)(F)F)cc1)c1csc2ccccc12
InChIInChI=1S/C16H12F3NS/c17-16(18,19)11-7-5-10(6-8-11)15(20)13-9-21-14-4-2-1-3-12(13)14/h1-9,15H,20H2
InChIKeyVDJHAVLFMTYTRM-UHFFFAOYSA-N
MW307.34 g/mol
LogP4.97
Rot. Bonds2

About 1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanamine

1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 43150849) has the molecular formula C16H12F3NS and a molecular weight of 307.34 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID43150849
Molecular FormulaC16H12F3NS
Molecular Weight307.34 g/mol
Exact Mass307.06
IUPAC Name1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(C(F)(F)F)cc1)c1csc2ccccc12
InChIInChI=1S/C16H12F3NS/c17-16(18,19)11-7-5-10(6-8-11)15(20)13-9-21-14-4-2-1-3-12(13)14/h1-9,15H,20H2
InChIKeyVDJHAVLFMTYTRM-UHFFFAOYSA-N
XLogP4.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)phenyl]-(1-benzothiophen-3-yl)methanamine
CID 116937094
4-[amino(1-benzothiophen-3-yl)methyl]-N-methylaniline
CID 116936917
(1S)-1-(1-benzothiophen-3-yl)-4,4,4-trifluorobutan-1-amine
CID 171224591
1-benzothiophen-3-yl-(4-butylphenyl)methanamine
CID 63523268
1-benzothiophen-3-yl-(2,6-difluorophenyl)methanamine
CID 43150877
1-benzothiophen-3-yl-(4-tert-butylphenyl)methanol
CID 63426745
1-benzothiophen-3-yl-(2,3-difluorophenyl)methanamine
CID 55101865
1-benzothiophen-3-yl(chloro)methanamine
CID 116947843
(1R)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol
CID 71757522
(3R)-3-amino-3-(1-benzothiophen-3-yl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171241342
1-benzothiophen-3-yl(quinolin-3-yl)methanamine
CID 115797844
3-[4-(trifluoromethyl)phenoxy]-1-benzothiophene
CID 177468045

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanamine (CID 43150849) is 1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanamine is NC(c1ccc(C(F)(F)F)cc1)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is VDJHAVLFMTYTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NS/c17-16(18,19)11-7-5-10(6-8-11)15(20)13-9-21-14-4-2-1-3-12(13)14/h1-9,15H,20H2.
What are the key properties of 1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanamine?
1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 307.34 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 43150849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).