2-[4-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]acetic acid

C15H17NO4 — CID 122561799

IUPAC2-[4-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]acetic acid
SMILESCN(Cc1ccc(OCC(=O)O)cc1)Cc1ccoc1
InChIInChI=1S/C15H17NO4/c1-16(9-13-6-7-19-10-13)8-12-2-4-14(5-3-12)20-11-15(17)18/h2-7,10H,8-9,11H2,1H3,(H,17,18)
InChIKeySEKNLTJOTADUAU-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.38
Rot. Bonds7

About 2-[4-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]acetic acid

2-[4-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]acetic acid (PubChem CID 122561799) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[4-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]acetic acid
PubChem CID122561799
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-[4-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]acetic acid
SMILESCN(Cc1ccc(OCC(=O)O)cc1)Cc1ccoc1
InChIInChI=1S/C15H17NO4/c1-16(9-13-6-7-19-10-13)8-12-2-4-14(5-3-12)20-11-15(17)18/h2-7,10H,8-9,11H2,1H3,(H,17,18)
InChIKeySEKNLTJOTADUAU-UHFFFAOYSA-N
XLogP2.38
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[furan-3-ylmethyl(methyl)amino]methyl]benzoic acid
CID 61422241
2-[4-(aminomethyl)phenoxy]-N-(furan-3-ylmethyl)-N-methylacetamide
CID 61422064
2-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]phenoxy]acetic acid
CID 77079828
1-(4-ethoxyphenyl)-2-[furan-3-ylmethyl(methyl)amino]ethanone
CID 62034992
2-[4-[[(2,6-dimethyl-3-pyridinyl)methyl-methylamino]methyl]phenoxy]acetic acid
CID 138004182
[4-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]boronic acid
CID 54970779
5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methoxybenzoic acid
CID 65339367
2-[4-(furan-3-ylmethoxy)phenyl]acetic acid
CID 68666970
2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid
CID 39245612
2-[4-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]phenoxy]acetic acid
CID 91784125
4-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-methylamino]butanoic acid
CID 65068126
3-chloro-N-(furan-3-ylmethyl)-N-methylpropan-1-amine
CID 61422654

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]acetic acid (CID 122561799) is 2-[4-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]acetic acid is CN(Cc1ccc(OCC(=O)O)cc1)Cc1ccoc1.
What is the InChIKey of 2-[4-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]acetic acid?
The InChIKey is SEKNLTJOTADUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-16(9-13-6-7-19-10-13)8-12-2-4-14(5-3-12)20-11-15(17)18/h2-7,10H,8-9,11H2,1H3,(H,17,18).
What are the key properties of 2-[4-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]acetic acid?
2-[4-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]acetic acid has a molecular weight of 275.30 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 122561799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).