[5-(2,5-dimethoxyphenyl)furan-2-yl]methanamine

C13H15NO3 — CID 106887065

IUPAC[5-(2,5-dimethoxyphenyl)furan-2-yl]methanamine
SMILESCOc1ccc(OC)c(-c2ccc(CN)o2)c1
InChIInChI=1S/C13H15NO3/c1-15-9-3-5-12(16-2)11(7-9)13-6-4-10(8-14)17-13/h3-7H,8,14H2,1-2H3
InChIKeyDEFCTZKHHPPELG-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.42
Rot. Bonds4

About [5-(2,5-dimethoxyphenyl)furan-2-yl]methanamine

[5-(2,5-dimethoxyphenyl)furan-2-yl]methanamine (PubChem CID 106887065) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is [5-(2,5-dimethoxyphenyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2,5-dimethoxyphenyl)furan-2-yl]methanamine
PubChem CID106887065
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name[5-(2,5-dimethoxyphenyl)furan-2-yl]methanamine
SMILESCOc1ccc(OC)c(-c2ccc(CN)o2)c1
InChIInChI=1S/C13H15NO3/c1-15-9-3-5-12(16-2)11(7-9)13-6-4-10(8-14)17-13/h3-7H,8,14H2,1-2H3
InChIKeyDEFCTZKHHPPELG-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

[5-(2,3,4-trimethoxyphenyl)furan-2-yl]methanamine
CID 106888714
[5-(3-methoxyphenyl)furan-2-yl]methanamine
CID 43826373
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
5-(2,5-dimethoxyphenyl)-1,2-oxazole
CID 65240254
2-(chloromethyl)-5-(2,5-dimethoxyphenyl)-1,3-oxazole
CID 43144202
[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]methanamine
CID 82478923
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
2-[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
CID 94693410
2-(2,5-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole
CID 644574
N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-methoxybenzamide
CID 28672057
[2-(2,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82430343
3-(aminomethyl)-6-(2,5-dimethoxyphenyl)-1,4-dimethylpyridin-2-one
CID 82189721

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dimethoxyphenyl)furan-2-yl]methanamine?
The IUPAC name of [5-(2,5-dimethoxyphenyl)furan-2-yl]methanamine (CID 106887065) is [5-(2,5-dimethoxyphenyl)furan-2-yl]methanamine.
What is the SMILES notation for [5-(2,5-dimethoxyphenyl)furan-2-yl]methanamine?
The canonical SMILES for [5-(2,5-dimethoxyphenyl)furan-2-yl]methanamine is COc1ccc(OC)c(-c2ccc(CN)o2)c1.
What is the InChIKey of [5-(2,5-dimethoxyphenyl)furan-2-yl]methanamine?
The InChIKey is DEFCTZKHHPPELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-15-9-3-5-12(16-2)11(7-9)13-6-4-10(8-14)17-13/h3-7H,8,14H2,1-2H3.
What are the key properties of [5-(2,5-dimethoxyphenyl)furan-2-yl]methanamine?
[5-(2,5-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 [5-(2,5-dimethoxyphenyl)furan-2-yl]methanamine is sourced from PubChem (CID 106887065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).