[5-[(2,6-dimethoxyphenoxy)methyl]furan-2-yl]methanamine

C14H17NO4 — CID 62451638

IUPAC[5-[(2,6-dimethoxyphenoxy)methyl]furan-2-yl]methanamine
SMILESCOc1cccc(OC)c1OCc1ccc(CN)o1
InChIInChI=1S/C14H17NO4/c1-16-12-4-3-5-13(17-2)14(12)18-9-11-7-6-10(8-15)19-11/h3-7H,8-9,15H2,1-2H3
InChIKeyADXNYGKIYBQGSG-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.33
Rot. Bonds6

About [5-[(2,6-dimethoxyphenoxy)methyl]furan-2-yl]methanamine

[5-[(2,6-dimethoxyphenoxy)methyl]furan-2-yl]methanamine (PubChem CID 62451638) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is [5-[(2,6-dimethoxyphenoxy)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(2,6-dimethoxyphenoxy)methyl]furan-2-yl]methanamine
PubChem CID62451638
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name[5-[(2,6-dimethoxyphenoxy)methyl]furan-2-yl]methanamine
SMILESCOc1cccc(OC)c1OCc1ccc(CN)o1
InChIInChI=1S/C14H17NO4/c1-16-12-4-3-5-13(17-2)14(12)18-9-11-7-6-10(8-15)19-11/h3-7H,8-9,15H2,1-2H3
InChIKeyADXNYGKIYBQGSG-UHFFFAOYSA-N
XLogP2.33
TPSA66.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanamine
CID 55077285
[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methanamine
CID 62455058
[5-[(2,6-dimethoxyphenoxy)methyl]furan-3-yl]methanamine
CID 62449636
[5-[(2,3,6-trimethylphenoxy)methyl]furan-2-yl]methanamine
CID 62484441
[5-[(2,4,6-trimethylphenoxy)methyl]furan-2-yl]methanamine
CID 82085819
[5-(2-methoxyphenoxy)furan-2-yl]methanamine
CID 28815260
[4-[(2,6-dimethoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80728963
3-(2,6-dimethoxyphenoxy)propan-1-amine
CID 14025832
[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanamine
CID 62454470
[4-[(2,3-dimethoxyphenoxy)methyl]phenyl]methanamine
CID 22688697
[2-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]methanamine
CID 82083022
[5-[(3-bromophenoxy)methyl]furan-2-yl]methanamine
CID 62459720

Frequently Asked Questions

What is the IUPAC name of [5-[(2,6-dimethoxyphenoxy)methyl]furan-2-yl]methanamine?
The IUPAC name of [5-[(2,6-dimethoxyphenoxy)methyl]furan-2-yl]methanamine (CID 62451638) is [5-[(2,6-dimethoxyphenoxy)methyl]furan-2-yl]methanamine.
What is the SMILES notation for [5-[(2,6-dimethoxyphenoxy)methyl]furan-2-yl]methanamine?
The canonical SMILES for [5-[(2,6-dimethoxyphenoxy)methyl]furan-2-yl]methanamine is COc1cccc(OC)c1OCc1ccc(CN)o1.
What is the InChIKey of [5-[(2,6-dimethoxyphenoxy)methyl]furan-2-yl]methanamine?
The InChIKey is ADXNYGKIYBQGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-16-12-4-3-5-13(17-2)14(12)18-9-11-7-6-10(8-15)19-11/h3-7H,8-9,15H2,1-2H3.
What are the key properties of [5-[(2,6-dimethoxyphenoxy)methyl]furan-2-yl]methanamine?
[5-[(2,6-dimethoxyphenoxy)methyl]furan-2-yl]methanamine has a molecular weight of 263.29 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,6-dimethoxyphenoxy)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62451638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).