2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid

C14H14ClNO4 — CID 103292963

IUPAC2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid
SMILESCOc1cccc(Cl)c1CNCc1occc1C(=O)O
InChIInChI=1S/C14H14ClNO4/c1-19-12-4-2-3-11(15)10(12)7-16-8-13-9(14(17)18)5-6-20-13/h2-6,16H,7-8H2,1H3,(H,17,18)
InChIKeyYVANUCJZUYNZLU-UHFFFAOYSA-N
MW295.72 g/mol
LogP2.93
Rot. Bonds6

About 2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid

2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid (PubChem CID 103292963) has the molecular formula C14H14ClNO4 and a molecular weight of 295.72 g/mol. Its IUPAC name is 2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid
PubChem CID103292963
Molecular FormulaC14H14ClNO4
Molecular Weight295.72 g/mol
Exact Mass295.06
IUPAC Name2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid
SMILESCOc1cccc(Cl)c1CNCc1occc1C(=O)O
InChIInChI=1S/C14H14ClNO4/c1-19-12-4-2-3-11(15)10(12)7-16-8-13-9(14(17)18)5-6-20-13/h2-6,16H,7-8H2,1H3,(H,17,18)
InChIKeyYVANUCJZUYNZLU-UHFFFAOYSA-N
XLogP2.93
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid
CID 103231836
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
6-chloro-2-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-3-carboxylic acid
CID 103292726
2-[[(2-methylphenyl)methylamino]methyl]furan-3-carboxylic acid
CID 103239789
2-[(furan-2-ylmethylamino)methyl]furan-3-carboxylic acid
CID 103235122
2-amino-4-[(2-chloro-6-methoxyphenyl)methylamino]benzoic acid
CID 103293324
2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide
CID 103292977
2-[(3-chloro-2-fluoroanilino)methyl]furan-3-carboxylic acid
CID 103236435
tert-butyl 2-[(2-chloro-6-methoxyphenyl)methylamino]acetate
CID 115635465
1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
CID 115634692
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 115634843
1-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 103293265

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid (CID 103292963) is 2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid is COc1cccc(Cl)c1CNCc1occc1C(=O)O.
What is the InChIKey of 2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid?
The InChIKey is YVANUCJZUYNZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4/c1-19-12-4-2-3-11(15)10(12)7-16-8-13-9(14(17)18)5-6-20-13/h2-6,16H,7-8H2,1H3,(H,17,18).
What are the key properties of 2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid?
2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid has a molecular weight of 295.72 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 103292963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).