1-benzothiophen-7-yl-(4-fluoro-3-methoxyphenyl)methanamine

C16H14FNOS — CID 105021772

IUPAC1-benzothiophen-7-yl-(4-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cc(C(N)c2cccc3ccsc23)ccc1F
InChIInChI=1S/C16H14FNOS/c1-19-14-9-11(5-6-13(14)17)15(18)12-4-2-3-10-7-8-20-16(10)12/h2-9,15H,18H2,1H3
InChIKeyZPXKOOUMHNGIKI-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.10
Rot. Bonds3

About 1-benzothiophen-7-yl-(4-fluoro-3-methoxyphenyl)methanamine

1-benzothiophen-7-yl-(4-fluoro-3-methoxyphenyl)methanamine (PubChem CID 105021772) has the molecular formula C16H14FNOS and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(4-fluoro-3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(4-fluoro-3-methoxyphenyl)methanamine
PubChem CID105021772
Molecular FormulaC16H14FNOS
Molecular Weight287.36 g/mol
Exact Mass287.08
IUPAC Name1-benzothiophen-7-yl-(4-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cc(C(N)c2cccc3ccsc23)ccc1F
InChIInChI=1S/C16H14FNOS/c1-19-14-9-11(5-6-13(14)17)15(18)12-4-2-3-10-7-8-20-16(10)12/h2-9,15H,18H2,1H3
InChIKeyZPXKOOUMHNGIKI-UHFFFAOYSA-N
XLogP4.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-7-yl-(2,4-dimethoxyphenyl)methanamine
CID 105021986
1-benzothiophen-7-yl-(2,5-difluorophenyl)methanamine
CID 81154128
1-benzothiophen-7-yl-(3,4-dimethoxyphenyl)methanol
CID 81131841
1-benzothiophen-7-yl-(3-propan-2-yloxyphenyl)methanamine
CID 105021793
1-benzothiophen-7-yl-[3-(difluoromethoxy)phenyl]methanamine
CID 105022104
1-benzothiophen-7-yl-(3-bromophenyl)methanamine
CID 81152966
1-benzothiophen-7-yl-(4-bromophenyl)methanamine
CID 81153674
(2,4-difluorophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283015
(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283519
1-benzothiophen-7-yl-(3-propoxyphenyl)methanamine
CID 105021889
(4-fluoro-3-methoxyphenyl)-(2-propoxyphenyl)methanamine
CID 105035771
(3,4-dimethoxyphenyl)-(2-fluorophenyl)methanamine
CID 24688761

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(4-fluoro-3-methoxyphenyl)methanamine?
The IUPAC name of 1-benzothiophen-7-yl-(4-fluoro-3-methoxyphenyl)methanamine (CID 105021772) is 1-benzothiophen-7-yl-(4-fluoro-3-methoxyphenyl)methanamine.
What is the SMILES notation for 1-benzothiophen-7-yl-(4-fluoro-3-methoxyphenyl)methanamine?
The canonical SMILES for 1-benzothiophen-7-yl-(4-fluoro-3-methoxyphenyl)methanamine is COc1cc(C(N)c2cccc3ccsc23)ccc1F.
What is the InChIKey of 1-benzothiophen-7-yl-(4-fluoro-3-methoxyphenyl)methanamine?
The InChIKey is ZPXKOOUMHNGIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNOS/c1-19-14-9-11(5-6-13(14)17)15(18)12-4-2-3-10-7-8-20-16(10)12/h2-9,15H,18H2,1H3.
What are the key properties of 1-benzothiophen-7-yl-(4-fluoro-3-methoxyphenyl)methanamine?
1-benzothiophen-7-yl-(4-fluoro-3-methoxyphenyl)methanamine has a molecular weight of 287.36 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-(4-fluoro-3-methoxyphenyl)methanamine is sourced from PubChem (CID 105021772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).