2,3-dihydro-1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methanamine

C16H16FNOS — CID 105176556

IUPAC2,3-dihydro-1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methanamine
SMILESCOc1ccc(F)cc1C(N)C1CSc2ccccc21
InChIInChI=1S/C16H16FNOS/c1-19-14-7-6-10(17)8-12(14)16(18)13-9-20-15-5-3-2-4-11(13)15/h2-8,13,16H,9,18H2,1H3
InChIKeyVPVOBGFDORSQCF-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.72
Rot. Bonds3

About 2,3-dihydro-1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methanamine

2,3-dihydro-1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methanamine (PubChem CID 105176556) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methanamine
PubChem CID105176556
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC Name2,3-dihydro-1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methanamine
SMILESCOc1ccc(F)cc1C(N)C1CSc2ccccc21
InChIInChI=1S/C16H16FNOS/c1-19-14-7-6-10(17)8-12(14)16(18)13-9-20-15-5-3-2-4-11(13)15/h2-8,13,16H,9,18H2,1H3
InChIKeyVPVOBGFDORSQCF-UHFFFAOYSA-N
XLogP3.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 66394751
(5-fluoro-2-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 62718085
2,3-dihydro-1-benzothiophen-3-yl-(2,3-dimethylphenyl)methanamine
CID 105140626
(R)-cyclohexyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 93023442
(2-chloro-5-fluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 105397717
(5-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine
CID 107177071
(2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122398
(5-fluoro-2-methoxyphenyl)-(3-methylcyclohexyl)methanamine
CID 82769188
(5-fluoro-2-methoxyphenyl)-(1-methylpyrrolidin-3-yl)methanamine
CID 83824626
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
(5-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43464539
4-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one
CID 116941932

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methanamine?
The IUPAC name of 2,3-dihydro-1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methanamine (CID 105176556) is 2,3-dihydro-1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methanamine is COc1ccc(F)cc1C(N)C1CSc2ccccc21.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methanamine?
The InChIKey is VPVOBGFDORSQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c1-19-14-7-6-10(17)8-12(14)16(18)13-9-20-15-5-3-2-4-11(13)15/h2-8,13,16H,9,18H2,1H3.
What are the key properties of 2,3-dihydro-1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methanamine?
2,3-dihydro-1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methanamine has a molecular weight of 289.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-3-yl-(5-fluoro-2-methoxyphenyl)methanamine is sourced from PubChem (CID 105176556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).