7-fluoro-N-[(4-methoxyphenyl)methyl]-1-benzothiophen-3-amine

C16H14FNOS — CID 118332652

IUPAC7-fluoro-N-[(4-methoxyphenyl)methyl]-1-benzothiophen-3-amine
SMILESCOc1ccc(CNc2csc3c(F)cccc23)cc1
InChIInChI=1S/C16H14FNOS/c1-19-12-7-5-11(6-8-12)9-18-15-10-20-16-13(15)3-2-4-14(16)17/h2-8,10,18H,9H2,1H3
InChIKeyAGURAXJSZFTINV-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.66
Rot. Bonds4

About 7-fluoro-N-[(4-methoxyphenyl)methyl]-1-benzothiophen-3-amine

7-fluoro-N-[(4-methoxyphenyl)methyl]-1-benzothiophen-3-amine (PubChem CID 118332652) has the molecular formula C16H14FNOS and a molecular weight of 287.36 g/mol. Its IUPAC name is 7-fluoro-N-[(4-methoxyphenyl)methyl]-1-benzothiophen-3-amine.

Molecular Properties

Compound Name7-fluoro-N-[(4-methoxyphenyl)methyl]-1-benzothiophen-3-amine
PubChem CID118332652
Molecular FormulaC16H14FNOS
Molecular Weight287.36 g/mol
Exact Mass287.08
IUPAC Name7-fluoro-N-[(4-methoxyphenyl)methyl]-1-benzothiophen-3-amine
SMILESCOc1ccc(CNc2csc3c(F)cccc23)cc1
InChIInChI=1S/C16H14FNOS/c1-19-12-7-5-11(6-8-12)9-18-15-10-20-16-13(15)3-2-4-14(16)17/h2-8,10,18H,9H2,1H3
InChIKeyAGURAXJSZFTINV-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoroethyl)-4-(5-(4-methoxyphenyl)thiophen-2-yl)benzenamine
CID 44408848
1-[2-(4-Methoxyphenyl)-1-benzothiophen-3-yl]piperidine
CID 12190200
N-(4-methoxyphenyl)-2,3-dimethyl-1-benzothiophen-7-amine
CID 16721089
N-(3-methoxyphenyl)-2,3-dimethyl-1-benzothiophen-7-amine
CID 44428618
2-(1-benzothiophen-3-yl)-N-[(4-methoxyphenyl)methyl]aniline
CID 139252446
1-(2,3-Dihydrobenzothiazol-2-yl)-4-methoxybenzene
CID 3424364
1-(6-Fluoro-1-benzothiophen-3-yl)-4-(3-phenoxypropyl)piperazine
CID 19738073
N-[(3-fluoro-4-methoxyphenyl)methyl]dibenzothiophen-2-amine
CID 22664042
N-(1-benzothiophen-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 44467023
2-[4-(N-monomethylamino)phenyl]-6-(2-fluoroethoxy)benzothiophene
CID 46947163
4-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-N-methylaniline
CID 46947164
2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline
CID 46947354

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[(4-methoxyphenyl)methyl]-1-benzothiophen-3-amine?
The IUPAC name of 7-fluoro-N-[(4-methoxyphenyl)methyl]-1-benzothiophen-3-amine (CID 118332652) is 7-fluoro-N-[(4-methoxyphenyl)methyl]-1-benzothiophen-3-amine.
What is the SMILES notation for 7-fluoro-N-[(4-methoxyphenyl)methyl]-1-benzothiophen-3-amine?
The canonical SMILES for 7-fluoro-N-[(4-methoxyphenyl)methyl]-1-benzothiophen-3-amine is COc1ccc(CNc2csc3c(F)cccc23)cc1.
What is the InChIKey of 7-fluoro-N-[(4-methoxyphenyl)methyl]-1-benzothiophen-3-amine?
The InChIKey is AGURAXJSZFTINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNOS/c1-19-12-7-5-11(6-8-12)9-18-15-10-20-16-13(15)3-2-4-14(16)17/h2-8,10,18H,9H2,1H3.
What are the key properties of 7-fluoro-N-[(4-methoxyphenyl)methyl]-1-benzothiophen-3-amine?
7-fluoro-N-[(4-methoxyphenyl)methyl]-1-benzothiophen-3-amine has a molecular weight of 287.36 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[(4-methoxyphenyl)methyl]-1-benzothiophen-3-amine is sourced from PubChem (CID 118332652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).