2-chloro-6-[furan-3-ylmethyl(methyl)amino]benzaldehyde

C13H12ClNO2 — CID 61422339

IUPAC2-chloro-6-[furan-3-ylmethyl(methyl)amino]benzaldehyde
SMILESCN(Cc1ccoc1)c1cccc(Cl)c1C=O
InChIInChI=1S/C13H12ClNO2/c1-15(7-10-5-6-17-9-10)13-4-2-3-12(14)11(13)8-16/h2-6,8-9H,7H2,1H3
InChIKeyHCLNXGWEUQFFJV-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.38
Rot. Bonds4

About 2-chloro-6-[furan-3-ylmethyl(methyl)amino]benzaldehyde

2-chloro-6-[furan-3-ylmethyl(methyl)amino]benzaldehyde (PubChem CID 61422339) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-chloro-6-[furan-3-ylmethyl(methyl)amino]benzaldehyde.

Molecular Properties

Compound Name2-chloro-6-[furan-3-ylmethyl(methyl)amino]benzaldehyde
PubChem CID61422339
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name2-chloro-6-[furan-3-ylmethyl(methyl)amino]benzaldehyde
SMILESCN(Cc1ccoc1)c1cccc(Cl)c1C=O
InChIInChI=1S/C13H12ClNO2/c1-15(7-10-5-6-17-9-10)13-4-2-3-12(14)11(13)8-16/h2-6,8-9H,7H2,1H3
InChIKeyHCLNXGWEUQFFJV-UHFFFAOYSA-N
XLogP3.38
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde
CID 61426535
2-[(5-bromothiophen-3-yl)methyl-methylamino]-6-chlorobenzaldehyde
CID 63535975
2-chloro-6-[(2-methoxyphenyl)methyl-methylamino]benzaldehyde
CID 61418205
4-[furan-3-ylmethyl(methyl)amino]-3-nitrobenzaldehyde
CID 61422393
2-chloro-6-[(1-ethylpiperidin-4-yl)-methylamino]benzaldehyde
CID 55004174
2-(3-chloro-N-ethyl-2-formylanilino)-N,N-dimethylacetamide
CID 54948718
2,6-dichlorobenzaldehyde;ethane
CID 90823593
2-chloro-6-[ethyl(2-ethylbutyl)amino]benzaldehyde
CID 63536486
2-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]benzaldehyde
CID 61436638
2-chloro-N-(furan-3-ylmethyl)-N-methylpyridin-4-amine
CID 103756524
2-chloro-6-[3,3-dimethylbutan-2-yl(methyl)amino]benzaldehyde
CID 55010814
2-[bis(3-methylbutyl)amino]-6-chlorobenzaldehyde
CID 107870270

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[furan-3-ylmethyl(methyl)amino]benzaldehyde?
The IUPAC name of 2-chloro-6-[furan-3-ylmethyl(methyl)amino]benzaldehyde (CID 61422339) is 2-chloro-6-[furan-3-ylmethyl(methyl)amino]benzaldehyde.
What is the SMILES notation for 2-chloro-6-[furan-3-ylmethyl(methyl)amino]benzaldehyde?
The canonical SMILES for 2-chloro-6-[furan-3-ylmethyl(methyl)amino]benzaldehyde is CN(Cc1ccoc1)c1cccc(Cl)c1C=O.
What is the InChIKey of 2-chloro-6-[furan-3-ylmethyl(methyl)amino]benzaldehyde?
The InChIKey is HCLNXGWEUQFFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-15(7-10-5-6-17-9-10)13-4-2-3-12(14)11(13)8-16/h2-6,8-9H,7H2,1H3.
What are the key properties of 2-chloro-6-[furan-3-ylmethyl(methyl)amino]benzaldehyde?
2-chloro-6-[furan-3-ylmethyl(methyl)amino]benzaldehyde has a molecular weight of 249.70 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[furan-3-ylmethyl(methyl)amino]benzaldehyde is sourced from PubChem (CID 61422339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).