5-[[1-(2,4-dichlorophenyl)ethylamino]methyl]-3-methylfuran-2-carboxylic acid

C15H15Cl2NO3 — CID 103233967

IUPAC5-[[1-(2,4-dichlorophenyl)ethylamino]methyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(CNC(C)c2ccc(Cl)cc2Cl)oc1C(=O)O
InChIInChI=1S/C15H15Cl2NO3/c1-8-5-11(21-14(8)15(19)20)7-18-9(2)12-4-3-10(16)6-13(12)17/h3-6,9,18H,7H2,1-2H3,(H,19,20)
InChIKeyVTTPSXMLLCRQIF-UHFFFAOYSA-N
MW328.20 g/mol
LogP4.44
Rot. Bonds5

About 5-[[1-(2,4-dichlorophenyl)ethylamino]methyl]-3-methylfuran-2-carboxylic acid

5-[[1-(2,4-dichlorophenyl)ethylamino]methyl]-3-methylfuran-2-carboxylic acid (PubChem CID 103233967) has the molecular formula C15H15Cl2NO3 and a molecular weight of 328.20 g/mol. Its IUPAC name is 5-[[1-(2,4-dichlorophenyl)ethylamino]methyl]-3-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(2,4-dichlorophenyl)ethylamino]methyl]-3-methylfuran-2-carboxylic acid
PubChem CID103233967
Molecular FormulaC15H15Cl2NO3
Molecular Weight328.20 g/mol
Exact Mass327.04
IUPAC Name5-[[1-(2,4-dichlorophenyl)ethylamino]methyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(CNC(C)c2ccc(Cl)cc2Cl)oc1C(=O)O
InChIInChI=1S/C15H15Cl2NO3/c1-8-5-11(21-14(8)15(19)20)7-18-9(2)12-4-3-10(16)6-13(12)17/h3-6,9,18H,7H2,1-2H3,(H,19,20)
InChIKeyVTTPSXMLLCRQIF-UHFFFAOYSA-N
XLogP4.44
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[[1-(2,4-dichlorophenyl)ethylamino]methyl]-3-methylfuran-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-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid
CID 103260191
5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid
CID 103257756
5-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid
CID 103257716
2-[[1-(2,4-dichlorophenyl)ethylamino]methyl]furan-3-carboxylic acid
CID 103233958
1-(2,4-dichlorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60719338
4-[[1-(2,4-dichlorophenyl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103233985
(1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 11738554
1-(2,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43080367
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 26602537
2-[[1-(2,4-dichlorophenyl)ethylamino]methyl]prop-2-enoic acid
CID 103233973
5-[[1-(4-chlorophenyl)ethylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 103244932
5-(ethylaminomethyl)-3-methylfuran-2-carboxylic acid
CID 103230364

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2,4-dichlorophenyl)ethylamino]methyl]-3-methylfuran-2-carboxylic acid?
The IUPAC name of 5-[[1-(2,4-dichlorophenyl)ethylamino]methyl]-3-methylfuran-2-carboxylic acid (CID 103233967) is 5-[[1-(2,4-dichlorophenyl)ethylamino]methyl]-3-methylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(2,4-dichlorophenyl)ethylamino]methyl]-3-methylfuran-2-carboxylic acid?
The canonical SMILES for 5-[[1-(2,4-dichlorophenyl)ethylamino]methyl]-3-methylfuran-2-carboxylic acid is Cc1cc(CNC(C)c2ccc(Cl)cc2Cl)oc1C(=O)O.
What is the InChIKey of 5-[[1-(2,4-dichlorophenyl)ethylamino]methyl]-3-methylfuran-2-carboxylic acid?
The InChIKey is VTTPSXMLLCRQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO3/c1-8-5-11(21-14(8)15(19)20)7-18-9(2)12-4-3-10(16)6-13(12)17/h3-6,9,18H,7H2,1-2H3,(H,19,20).
What are the key properties of 5-[[1-(2,4-dichlorophenyl)ethylamino]methyl]-3-methylfuran-2-carboxylic acid?
5-[[1-(2,4-dichlorophenyl)ethylamino]methyl]-3-methylfuran-2-carboxylic acid has a molecular weight of 328.20 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2,4-dichlorophenyl)ethylamino]methyl]-3-methylfuran-2-carboxylic acid is sourced from PubChem (CID 103233967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).