[2-[(2-fluorophenyl)methoxymethyl]-1-benzofuran-3-yl]methanamine

C17H16FNO2 — CID 63937784

IUPAC[2-[(2-fluorophenyl)methoxymethyl]-1-benzofuran-3-yl]methanamine
SMILESNCc1c(COCc2ccccc2F)oc2ccccc12
InChIInChI=1S/C17H16FNO2/c18-15-7-3-1-5-12(15)10-20-11-17-14(9-19)13-6-2-4-8-16(13)21-17/h1-8H,9-11,19H2
InChIKeyDZVKWWALBJHHNI-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.75
Rot. Bonds5

About [2-[(2-fluorophenyl)methoxymethyl]-1-benzofuran-3-yl]methanamine

[2-[(2-fluorophenyl)methoxymethyl]-1-benzofuran-3-yl]methanamine (PubChem CID 63937784) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methoxymethyl]-1-benzofuran-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methoxymethyl]-1-benzofuran-3-yl]methanamine
PubChem CID63937784
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name[2-[(2-fluorophenyl)methoxymethyl]-1-benzofuran-3-yl]methanamine
SMILESNCc1c(COCc2ccccc2F)oc2ccccc12
InChIInChI=1S/C17H16FNO2/c18-15-7-3-1-5-12(15)10-20-11-17-14(9-19)13-6-2-4-8-16(13)21-17/h1-8H,9-11,19H2
InChIKeyDZVKWWALBJHHNI-UHFFFAOYSA-N
XLogP3.75
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(but-2-enoxymethyl)-1-benzofuran-3-yl]methanamine
CID 76943731
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
[2-[(4-bromo-2-fluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 62484613
[2-[(3-methoxy-3-methylbutoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 106667673
[4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine
CID 63934665
[2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 62484970
[2-[(3-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 62452377
[2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine
CID 64729828
(2-butyl-1-benzofuran-3-yl)methanamine
CID 43492779
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-4-fluoro-N-methylaniline
CID 62435698
[2-[(4-bromo-2-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 63217029
[2-[(4-bromo-2-chlorophenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 62486744

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methoxymethyl]-1-benzofuran-3-yl]methanamine?
The IUPAC name of [2-[(2-fluorophenyl)methoxymethyl]-1-benzofuran-3-yl]methanamine (CID 63937784) is [2-[(2-fluorophenyl)methoxymethyl]-1-benzofuran-3-yl]methanamine.
What is the SMILES notation for [2-[(2-fluorophenyl)methoxymethyl]-1-benzofuran-3-yl]methanamine?
The canonical SMILES for [2-[(2-fluorophenyl)methoxymethyl]-1-benzofuran-3-yl]methanamine is NCc1c(COCc2ccccc2F)oc2ccccc12.
What is the InChIKey of [2-[(2-fluorophenyl)methoxymethyl]-1-benzofuran-3-yl]methanamine?
The InChIKey is DZVKWWALBJHHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c18-15-7-3-1-5-12(15)10-20-11-17-14(9-19)13-6-2-4-8-16(13)21-17/h1-8H,9-11,19H2.
What are the key properties of [2-[(2-fluorophenyl)methoxymethyl]-1-benzofuran-3-yl]methanamine?
[2-[(2-fluorophenyl)methoxymethyl]-1-benzofuran-3-yl]methanamine has a molecular weight of 285.32 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methoxymethyl]-1-benzofuran-3-yl]methanamine is sourced from PubChem (CID 63937784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).