5-[[(4-methoxy-2-methylphenyl)methyl-methylamino]methyl]furan-2-carboxylic acid

C16H19NO4 — CID 167884511

IUPAC5-[[(4-methoxy-2-methylphenyl)methyl-methylamino]methyl]furan-2-carboxylic acid
SMILESCOc1ccc(CN(C)Cc2ccc(C(=O)O)o2)c(C)c1
InChIInChI=1S/C16H19NO4/c1-11-8-13(20-3)5-4-12(11)9-17(2)10-14-6-7-15(21-14)16(18)19/h4-8H,9-10H2,1-3H3,(H,18,19)
InChIKeyHOWQLBOZGGQBJH-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.93
Rot. Bonds6

About 5-[[(4-methoxy-2-methylphenyl)methyl-methylamino]methyl]furan-2-carboxylic acid

5-[[(4-methoxy-2-methylphenyl)methyl-methylamino]methyl]furan-2-carboxylic acid (PubChem CID 167884511) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-[[(4-methoxy-2-methylphenyl)methyl-methylamino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(4-methoxy-2-methylphenyl)methyl-methylamino]methyl]furan-2-carboxylic acid
PubChem CID167884511
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name5-[[(4-methoxy-2-methylphenyl)methyl-methylamino]methyl]furan-2-carboxylic acid
SMILESCOc1ccc(CN(C)Cc2ccc(C(=O)O)o2)c(C)c1
InChIInChI=1S/C16H19NO4/c1-11-8-13(20-3)5-4-12(11)9-17(2)10-14-6-7-15(21-14)16(18)19/h4-8H,9-10H2,1-3H3,(H,18,19)
InChIKeyHOWQLBOZGGQBJH-UHFFFAOYSA-N
XLogP2.93
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[(4-methoxy-2-methylphenyl)methyl-methylamino]methyl]furan-2-carboxylic acid 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

5-[[(3-methoxyphenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63578444
5-(4-methoxy-2-methylphenyl)furan-2-carboxylic acid
CID 62502482
5-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-carboxylic acid
CID 43564388
5-[[[2-(2,5-dimethoxyphenyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 120687787
5-[(4-chloro-2-methylphenyl)methyl]furan-2-carboxylic acid
CID 21387705
5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]furan-2-carboxylic acid
CID 120690586
3-methyl-4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]benzoic acid
CID 114485374
4-[(4-methoxy-N-methylanilino)methyl]-3-methylbenzoic acid
CID 114485460
5-[[(3-cyanophenyl)methyl-methylamino]methyl]furan-2-carboxylic acid
CID 62970029
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
5-[[(S)-(4-methoxyphenyl)sulfinyl]methyl]furan-2-carboxylic acid
CID 51550617
2-[[(4-methoxyphenyl)methyl-methylamino]methyl]benzoic acid
CID 61418111

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-methoxy-2-methylphenyl)methyl-methylamino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(4-methoxy-2-methylphenyl)methyl-methylamino]methyl]furan-2-carboxylic acid (CID 167884511) is 5-[[(4-methoxy-2-methylphenyl)methyl-methylamino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(4-methoxy-2-methylphenyl)methyl-methylamino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(4-methoxy-2-methylphenyl)methyl-methylamino]methyl]furan-2-carboxylic acid is COc1ccc(CN(C)Cc2ccc(C(=O)O)o2)c(C)c1.
What is the InChIKey of 5-[[(4-methoxy-2-methylphenyl)methyl-methylamino]methyl]furan-2-carboxylic acid?
The InChIKey is HOWQLBOZGGQBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-11-8-13(20-3)5-4-12(11)9-17(2)10-14-6-7-15(21-14)16(18)19/h4-8H,9-10H2,1-3H3,(H,18,19).
What are the key properties of 5-[[(4-methoxy-2-methylphenyl)methyl-methylamino]methyl]furan-2-carboxylic acid?
5-[[(4-methoxy-2-methylphenyl)methyl-methylamino]methyl]furan-2-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-methoxy-2-methylphenyl)methyl-methylamino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 167884511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).