[3-(2,6-dimethoxyphenyl)furan-2-yl]methanamine

C13H15NO3 — CID 106888051

IUPAC[3-(2,6-dimethoxyphenyl)furan-2-yl]methanamine
SMILESCOc1cccc(OC)c1-c1ccoc1CN
InChIInChI=1S/C13H15NO3/c1-15-10-4-3-5-11(16-2)13(10)9-6-7-17-12(9)8-14/h3-7H,8,14H2,1-2H3
InChIKeyLQYQMKPGTZYUOK-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.42
Rot. Bonds4

About [3-(2,6-dimethoxyphenyl)furan-2-yl]methanamine

[3-(2,6-dimethoxyphenyl)furan-2-yl]methanamine (PubChem CID 106888051) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is [3-(2,6-dimethoxyphenyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[3-(2,6-dimethoxyphenyl)furan-2-yl]methanamine
PubChem CID106888051
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name[3-(2,6-dimethoxyphenyl)furan-2-yl]methanamine
SMILESCOc1cccc(OC)c1-c1ccoc1CN
InChIInChI=1S/C13H15NO3/c1-15-10-4-3-5-11(16-2)13(10)9-6-7-17-12(9)8-14/h3-7H,8,14H2,1-2H3
InChIKeyLQYQMKPGTZYUOK-UHFFFAOYSA-N
XLogP2.42
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(5-methoxythiophen-2-yl)furan-2-yl]methanamine
CID 130587854
N-[[2-(aminomethyl)furan-3-yl]methyl]-2-methoxy-N-methylaniline
CID 62428788
[3-(2-fluoro-4-methoxyphenyl)furan-2-yl]methanamine
CID 106887847
[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]methanamine
CID 116810937
[3-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methanamine
CID 106889012
3-(3-methoxyfuran-2-yl)propan-1-amine
CID 166040043
[3-(4-fluoro-2-methylphenyl)furan-2-yl]methanamine
CID 106886832
2-bromo-1,3-bis(2,6-dimethoxyphenyl)benzene
CID 51042386
N-[[3-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
CID 106887918
[2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine
CID 82083022
[2-[2-(aminomethyl)-4-fluorophenyl]-3-methoxyphenyl]methanamine
CID 173141464
(3-methoxyfuran-2-yl)methanethiol
CID 91874217

Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dimethoxyphenyl)furan-2-yl]methanamine?
The IUPAC name of [3-(2,6-dimethoxyphenyl)furan-2-yl]methanamine (CID 106888051) is [3-(2,6-dimethoxyphenyl)furan-2-yl]methanamine.
What is the SMILES notation for [3-(2,6-dimethoxyphenyl)furan-2-yl]methanamine?
The canonical SMILES for [3-(2,6-dimethoxyphenyl)furan-2-yl]methanamine is COc1cccc(OC)c1-c1ccoc1CN.
What is the InChIKey of [3-(2,6-dimethoxyphenyl)furan-2-yl]methanamine?
The InChIKey is LQYQMKPGTZYUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-15-10-4-3-5-11(16-2)13(10)9-6-7-17-12(9)8-14/h3-7H,8,14H2,1-2H3.
What are the key properties of [3-(2,6-dimethoxyphenyl)furan-2-yl]methanamine?
[3-(2,6-dimethoxyphenyl)furan-2-yl]methanamine has a molecular weight of 233.27 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dimethoxyphenyl)furan-2-yl]methanamine is sourced from PubChem (CID 106888051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).