[3-[(2-fluorophenoxy)methyl]-1-benzothiophen-4-yl]methanamine

C16H14FNOS — CID 117170781

IUPAC[3-[(2-fluorophenoxy)methyl]-1-benzothiophen-4-yl]methanamine
SMILESNCc1cccc2scc(COc3ccccc3F)c12
InChIInChI=1S/C16H14FNOS/c17-13-5-1-2-6-14(13)19-9-12-10-20-15-7-3-4-11(8-18)16(12)15/h1-7,10H,8-9,18H2
InChIKeyAWYWQQHOMTZPDJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.08
Rot. Bonds4

About [3-[(2-fluorophenoxy)methyl]-1-benzothiophen-4-yl]methanamine

[3-[(2-fluorophenoxy)methyl]-1-benzothiophen-4-yl]methanamine (PubChem CID 117170781) has the molecular formula C16H14FNOS and a molecular weight of 287.36 g/mol. Its IUPAC name is [3-[(2-fluorophenoxy)methyl]-1-benzothiophen-4-yl]methanamine.

Molecular Properties

Compound Name[3-[(2-fluorophenoxy)methyl]-1-benzothiophen-4-yl]methanamine
PubChem CID117170781
Molecular FormulaC16H14FNOS
Molecular Weight287.36 g/mol
Exact Mass287.08
IUPAC Name[3-[(2-fluorophenoxy)methyl]-1-benzothiophen-4-yl]methanamine
SMILESNCc1cccc2scc(COc3ccccc3F)c12
InChIInChI=1S/C16H14FNOS/c17-13-5-1-2-6-14(13)19-9-12-10-20-15-7-3-4-11(8-18)16(12)15/h1-7,10H,8-9,18H2
InChIKeyAWYWQQHOMTZPDJ-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

4-fluoro-3-[(2-methylphenoxy)methyl]-1-benzothiophene
CID 117170884
3-[(2-fluorophenoxy)methyl]-1-benzothiophen-5-amine
CID 117174712
[4-(aminomethyl)-1-benzothiophen-3-yl]methanol
CID 117170804
[3-[(2-fluorophenoxy)methyl]-1-benzofuran-7-yl]methanamine
CID 117180945
[2-[(2-fluorophenoxy)methyl]-3-pyridinyl]methanamine
CID 114199215
3-[(2-chlorophenoxy)methyl]-1-benzothiophen-4-ol
CID 117170889
[2-(1-benzothiophen-3-ylmethoxy)-3-methoxyphenyl]methanamine
CID 63743487
3-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62464415
[3-(methylaminomethyl)-1-benzothiophen-4-yl]methanamine
CID 117170768
[2-[(2,4-difluorophenoxy)methyl]phenyl]methanamine
CID 16791044
3-[(4-fluorophenoxy)methyl]-1-benzothiophen-4-ol
CID 117170932
1-fluoro-2-[(2-methylphenyl)methoxy]benzene
CID 60627765

Frequently Asked Questions

What is the IUPAC name of [3-[(2-fluorophenoxy)methyl]-1-benzothiophen-4-yl]methanamine?
The IUPAC name of [3-[(2-fluorophenoxy)methyl]-1-benzothiophen-4-yl]methanamine (CID 117170781) is [3-[(2-fluorophenoxy)methyl]-1-benzothiophen-4-yl]methanamine.
What is the SMILES notation for [3-[(2-fluorophenoxy)methyl]-1-benzothiophen-4-yl]methanamine?
The canonical SMILES for [3-[(2-fluorophenoxy)methyl]-1-benzothiophen-4-yl]methanamine is NCc1cccc2scc(COc3ccccc3F)c12.
What is the InChIKey of [3-[(2-fluorophenoxy)methyl]-1-benzothiophen-4-yl]methanamine?
The InChIKey is AWYWQQHOMTZPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNOS/c17-13-5-1-2-6-14(13)19-9-12-10-20-15-7-3-4-11(8-18)16(12)15/h1-7,10H,8-9,18H2.
What are the key properties of [3-[(2-fluorophenoxy)methyl]-1-benzothiophen-4-yl]methanamine?
[3-[(2-fluorophenoxy)methyl]-1-benzothiophen-4-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-[(2-fluorophenoxy)methyl]-1-benzothiophen-4-yl]methanamine is sourced from PubChem (CID 117170781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).