1-benzothiophen-3-yl-(2-fluoro-3-methoxyphenyl)methanamine

C16H14FNOS — CID 105024860

IUPAC1-benzothiophen-3-yl-(2-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2csc3ccccc23)c1F
InChIInChI=1S/C16H14FNOS/c1-19-13-7-4-6-11(15(13)17)16(18)12-9-20-14-8-3-2-5-10(12)14/h2-9,16H,18H2,1H3
InChIKeyYWIOYXKVSDBVMB-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.10
Rot. Bonds3

About 1-benzothiophen-3-yl-(2-fluoro-3-methoxyphenyl)methanamine

1-benzothiophen-3-yl-(2-fluoro-3-methoxyphenyl)methanamine (PubChem CID 105024860) has the molecular formula C16H14FNOS and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(2-fluoro-3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(2-fluoro-3-methoxyphenyl)methanamine
PubChem CID105024860
Molecular FormulaC16H14FNOS
Molecular Weight287.36 g/mol
Exact Mass287.08
IUPAC Name1-benzothiophen-3-yl-(2-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2csc3ccccc23)c1F
InChIInChI=1S/C16H14FNOS/c1-19-13-7-4-6-11(15(13)17)16(18)12-9-20-14-8-3-2-5-10(12)14/h2-9,16H,18H2,1H3
InChIKeyYWIOYXKVSDBVMB-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-3-yl-(2,3-difluorophenyl)methanamine
CID 55101865
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
1-benzothiophen-3-yl-(3-methoxythiophen-2-yl)methanamine
CID 81127792
1-benzothiophen-3-yl-(2-propoxyphenyl)methanamine
CID 105035778
1-benzothiophen-3-yl-(2,6-difluorophenyl)methanamine
CID 43150877
(3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808026
1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine
CID 104990399
(2-fluoro-3-methoxyphenyl)-quinolin-5-ylmethanamine
CID 105174775
(4-chloro-2,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024829
(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 106645247
(5-chloro-2-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024912
(2-fluoro-3-methoxyphenyl)-(1,3-thiazol-5-yl)methanamine
CID 82812068

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(2-fluoro-3-methoxyphenyl)methanamine?
The IUPAC name of 1-benzothiophen-3-yl-(2-fluoro-3-methoxyphenyl)methanamine (CID 105024860) is 1-benzothiophen-3-yl-(2-fluoro-3-methoxyphenyl)methanamine.
What is the SMILES notation for 1-benzothiophen-3-yl-(2-fluoro-3-methoxyphenyl)methanamine?
The canonical SMILES for 1-benzothiophen-3-yl-(2-fluoro-3-methoxyphenyl)methanamine is COc1cccc(C(N)c2csc3ccccc23)c1F.
What is the InChIKey of 1-benzothiophen-3-yl-(2-fluoro-3-methoxyphenyl)methanamine?
The InChIKey is YWIOYXKVSDBVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNOS/c1-19-13-7-4-6-11(15(13)17)16(18)12-9-20-14-8-3-2-5-10(12)14/h2-9,16H,18H2,1H3.
What are the key properties of 1-benzothiophen-3-yl-(2-fluoro-3-methoxyphenyl)methanamine?
1-benzothiophen-3-yl-(2-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-3-yl-(2-fluoro-3-methoxyphenyl)methanamine is sourced from PubChem (CID 105024860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).