[3-[(3-fluorophenoxy)methyl]-1-benzothiophen-6-yl]methanamine

C16H14FNOS — CID 117177990

IUPAC[3-[(3-fluorophenoxy)methyl]-1-benzothiophen-6-yl]methanamine
SMILESNCc1ccc2c(COc3cccc(F)c3)csc2c1
InChIInChI=1S/C16H14FNOS/c17-13-2-1-3-14(7-13)19-9-12-10-20-16-6-11(8-18)4-5-15(12)16/h1-7,10H,8-9,18H2
InChIKeyUSZOOGSVJVBMCK-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.08
Rot. Bonds4

About [3-[(3-fluorophenoxy)methyl]-1-benzothiophen-6-yl]methanamine

[3-[(3-fluorophenoxy)methyl]-1-benzothiophen-6-yl]methanamine (PubChem CID 117177990) has the molecular formula C16H14FNOS and a molecular weight of 287.36 g/mol. Its IUPAC name is [3-[(3-fluorophenoxy)methyl]-1-benzothiophen-6-yl]methanamine.

Molecular Properties

Compound Name[3-[(3-fluorophenoxy)methyl]-1-benzothiophen-6-yl]methanamine
PubChem CID117177990
Molecular FormulaC16H14FNOS
Molecular Weight287.36 g/mol
Exact Mass287.08
IUPAC Name[3-[(3-fluorophenoxy)methyl]-1-benzothiophen-6-yl]methanamine
SMILESNCc1ccc2c(COc3cccc(F)c3)csc2c1
InChIInChI=1S/C16H14FNOS/c17-13-2-1-3-14(7-13)19-9-12-10-20-16-6-11(8-18)4-5-15(12)16/h1-7,10H,8-9,18H2
InChIKeyUSZOOGSVJVBMCK-UHFFFAOYSA-N
XLogP4.08
TPSA35.25 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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-fluorophenoxy)methyl]-1-benzothiophen-5-ol
CID 117174734
3-[(3-fluorophenoxy)methyl]-1-benzothiophen-4-amine
CID 117170908
[4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine
CID 43254110
O-[(6-fluoro-1-benzothiophen-3-yl)methyl]hydroxylamine
CID 117196258
[3-[(3-bromophenoxy)methyl]-4-fluorophenyl]methanamine
CID 43531140
[3-[(3-tert-butylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 43169661
2-[4-[(3-fluorophenoxy)methyl]phenyl]propan-1-amine
CID 105350731
[3-(3-fluorophenoxy)phenyl]methanamine hydroxide
CID 86649819
[3-fluoro-4-(3-fluorophenoxy)phenyl]methanamine
CID 28966240
5-amino-2-[(3-fluorophenoxy)methyl]phenol
CID 117219630
[3-(propan-2-ylsulfanylmethyl)-1-benzothiophen-6-yl]methanamine
CID 117178007
[3-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]methanamine
CID 106485119

Frequently Asked Questions

What is the IUPAC name of [3-[(3-fluorophenoxy)methyl]-1-benzothiophen-6-yl]methanamine?
The IUPAC name of [3-[(3-fluorophenoxy)methyl]-1-benzothiophen-6-yl]methanamine (CID 117177990) is [3-[(3-fluorophenoxy)methyl]-1-benzothiophen-6-yl]methanamine.
What is the SMILES notation for [3-[(3-fluorophenoxy)methyl]-1-benzothiophen-6-yl]methanamine?
The canonical SMILES for [3-[(3-fluorophenoxy)methyl]-1-benzothiophen-6-yl]methanamine is NCc1ccc2c(COc3cccc(F)c3)csc2c1.
What is the InChIKey of [3-[(3-fluorophenoxy)methyl]-1-benzothiophen-6-yl]methanamine?
The InChIKey is USZOOGSVJVBMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNOS/c17-13-2-1-3-14(7-13)19-9-12-10-20-16-6-11(8-18)4-5-15(12)16/h1-7,10H,8-9,18H2.
What are the key properties of [3-[(3-fluorophenoxy)methyl]-1-benzothiophen-6-yl]methanamine?
[3-[(3-fluorophenoxy)methyl]-1-benzothiophen-6-yl]methanamine has a molecular weight of 287.36 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-fluorophenoxy)methyl]-1-benzothiophen-6-yl]methanamine is sourced from PubChem (CID 117177990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).