[3-(2-fluoro-4-methoxyphenyl)furan-2-yl]methanamine

C12H12FNO2 — CID 106887847

IUPAC[3-(2-fluoro-4-methoxyphenyl)furan-2-yl]methanamine
SMILESCOc1ccc(-c2ccoc2CN)c(F)c1
InChIInChI=1S/C12H12FNO2/c1-15-8-2-3-9(11(13)6-8)10-4-5-16-12(10)7-14/h2-6H,7,14H2,1H3
InChIKeyAAHQSXJKWWCSAT-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.55
Rot. Bonds3

About [3-(2-fluoro-4-methoxyphenyl)furan-2-yl]methanamine

[3-(2-fluoro-4-methoxyphenyl)furan-2-yl]methanamine (PubChem CID 106887847) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is [3-(2-fluoro-4-methoxyphenyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[3-(2-fluoro-4-methoxyphenyl)furan-2-yl]methanamine
PubChem CID106887847
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name[3-(2-fluoro-4-methoxyphenyl)furan-2-yl]methanamine
SMILESCOc1ccc(-c2ccoc2CN)c(F)c1
InChIInChI=1S/C12H12FNO2/c1-15-8-2-3-9(11(13)6-8)10-4-5-16-12(10)7-14/h2-6H,7,14H2,1H3
InChIKeyAAHQSXJKWWCSAT-UHFFFAOYSA-N
XLogP2.55
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(2-fluoro-4-methoxyphenyl)furan-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-fluoro-4-methoxyphenyl)phenyl]methanamine
CID 61034326
[3-(4-fluoro-2-methylphenyl)furan-2-yl]methanamine
CID 106886832
2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 102885541
[3-(2,6-dimethoxyphenyl)furan-2-yl]methanamine
CID 106888051
3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 102885542
2-[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine
CID 81309552
2-fluoro-1-(4-fluorophenyl)-4-methoxybenzene
CID 46312221
[3-fluoro-4-(6-methoxynaphthalen-2-yl)phenyl]methanamine
CID 81441338
[3-(5-methoxythiophen-2-yl)furan-2-yl]methanamine
CID 130587854
[5-(2-fluoro-4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 102885893
[4-(2,4-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine
CID 82129188
[3-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methanamine
CID 106889012

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoro-4-methoxyphenyl)furan-2-yl]methanamine?
The IUPAC name of [3-(2-fluoro-4-methoxyphenyl)furan-2-yl]methanamine (CID 106887847) is [3-(2-fluoro-4-methoxyphenyl)furan-2-yl]methanamine.
What is the SMILES notation for [3-(2-fluoro-4-methoxyphenyl)furan-2-yl]methanamine?
The canonical SMILES for [3-(2-fluoro-4-methoxyphenyl)furan-2-yl]methanamine is COc1ccc(-c2ccoc2CN)c(F)c1.
What is the InChIKey of [3-(2-fluoro-4-methoxyphenyl)furan-2-yl]methanamine?
The InChIKey is AAHQSXJKWWCSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-15-8-2-3-9(11(13)6-8)10-4-5-16-12(10)7-14/h2-6H,7,14H2,1H3.
What are the key properties of [3-(2-fluoro-4-methoxyphenyl)furan-2-yl]methanamine?
[3-(2-fluoro-4-methoxyphenyl)furan-2-yl]methanamine has a molecular weight of 221.23 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluoro-4-methoxyphenyl)furan-2-yl]methanamine is sourced from PubChem (CID 106887847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).