[3-[(2-fluorophenoxy)methyl]-1-benzofuran-7-yl]methanamine

C16H14FNO2 — CID 117180945

IUPAC[3-[(2-fluorophenoxy)methyl]-1-benzofuran-7-yl]methanamine
SMILESNCc1cccc2c(COc3ccccc3F)coc12
InChIInChI=1S/C16H14FNO2/c17-14-6-1-2-7-15(14)19-9-12-10-20-16-11(8-18)4-3-5-13(12)16/h1-7,10H,8-9,18H2
InChIKeyXKPORRIMEICXAG-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.61
Rot. Bonds4

About [3-[(2-fluorophenoxy)methyl]-1-benzofuran-7-yl]methanamine

[3-[(2-fluorophenoxy)methyl]-1-benzofuran-7-yl]methanamine (PubChem CID 117180945) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is [3-[(2-fluorophenoxy)methyl]-1-benzofuran-7-yl]methanamine.

Molecular Properties

Compound Name[3-[(2-fluorophenoxy)methyl]-1-benzofuran-7-yl]methanamine
PubChem CID117180945
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name[3-[(2-fluorophenoxy)methyl]-1-benzofuran-7-yl]methanamine
SMILESNCc1cccc2c(COc3ccccc3F)coc12
InChIInChI=1S/C16H14FNO2/c17-14-6-1-2-7-15(14)19-9-12-10-20-16-11(8-18)4-3-5-13(12)16/h1-7,10H,8-9,18H2
InChIKeyXKPORRIMEICXAG-UHFFFAOYSA-N
XLogP3.61
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-fluorophenoxy)methyl]-1-benzofuran
CID 117170334
7-fluoro-3-[(2-methylphenoxy)methyl]-1-benzofuran
CID 117181030
6-chloro-3-[(2-fluorophenoxy)methyl]-1-benzofuran
CID 117177608
[3-[(2-fluorophenoxy)methyl]-1-benzothiophen-4-yl]methanamine
CID 117170781
1-fluoro-2-[(2-methylphenyl)methoxy]benzene
CID 60627765
[2-[(2-fluorophenoxy)methyl]-3-pyridinyl]methanamine
CID 114199215
3-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62464415
[2-[(2,4-difluorophenoxy)methyl]phenyl]methanamine
CID 16791044
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 20987842
7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran
CID 117181081
N-[[7-(aminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine
CID 117180965
[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanamine
CID 43531303

Frequently Asked Questions

What is the IUPAC name of [3-[(2-fluorophenoxy)methyl]-1-benzofuran-7-yl]methanamine?
The IUPAC name of [3-[(2-fluorophenoxy)methyl]-1-benzofuran-7-yl]methanamine (CID 117180945) is [3-[(2-fluorophenoxy)methyl]-1-benzofuran-7-yl]methanamine.
What is the SMILES notation for [3-[(2-fluorophenoxy)methyl]-1-benzofuran-7-yl]methanamine?
The canonical SMILES for [3-[(2-fluorophenoxy)methyl]-1-benzofuran-7-yl]methanamine is NCc1cccc2c(COc3ccccc3F)coc12.
What is the InChIKey of [3-[(2-fluorophenoxy)methyl]-1-benzofuran-7-yl]methanamine?
The InChIKey is XKPORRIMEICXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c17-14-6-1-2-7-15(14)19-9-12-10-20-16-11(8-18)4-3-5-13(12)16/h1-7,10H,8-9,18H2.
What are the key properties of [3-[(2-fluorophenoxy)methyl]-1-benzofuran-7-yl]methanamine?
[3-[(2-fluorophenoxy)methyl]-1-benzofuran-7-yl]methanamine has a molecular weight of 271.29 g/mol, XLogP of 3.61, 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-benzofuran-7-yl]methanamine is sourced from PubChem (CID 117180945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).