4-(1-aminoethyl)-6-chloro-2,3-dimethoxybenzaldehyde

C11H14ClNO3 — CID 84704040

IUPAC4-(1-aminoethyl)-6-chloro-2,3-dimethoxybenzaldehyde
SMILESCOc1c(C(C)N)cc(Cl)c(C=O)c1OC
InChIInChI=1S/C11H14ClNO3/c1-6(13)7-4-9(12)8(5-14)11(16-3)10(7)15-2/h4-6H,13H2,1-3H3
InChIKeyAVIDICZGBLOWBE-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.19
Rot. Bonds4

About 4-(1-aminoethyl)-6-chloro-2,3-dimethoxybenzaldehyde

4-(1-aminoethyl)-6-chloro-2,3-dimethoxybenzaldehyde (PubChem CID 84704040) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 4-(1-aminoethyl)-6-chloro-2,3-dimethoxybenzaldehyde.

Molecular Properties

Compound Name4-(1-aminoethyl)-6-chloro-2,3-dimethoxybenzaldehyde
PubChem CID84704040
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name4-(1-aminoethyl)-6-chloro-2,3-dimethoxybenzaldehyde
SMILESCOc1c(C(C)N)cc(Cl)c(C=O)c1OC
InChIInChI=1S/C11H14ClNO3/c1-6(13)7-4-9(12)8(5-14)11(16-3)10(7)15-2/h4-6H,13H2,1-3H3
InChIKeyAVIDICZGBLOWBE-UHFFFAOYSA-N
XLogP2.19
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(1-aminoethyl)-6-chloro-2,3-dimethoxybenzaldehyde 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

4-(4-aminobutan-2-yl)-6-chloro-2,3-dimethoxybenzaldehyde
CID 117432338
1-(5-chloro-3-ethenyl-2-methoxy-4-methylphenyl)ethanamine;hydrochloride
CID 86666923
6-chloro-4-(hydroxymethyl)-2,3-dimethoxybenzaldehyde
CID 84693990
4-acetyl-6-chloro-2,3-dimethoxybenzaldehyde
CID 84703434
6-chloro-4-[(hydroxyamino)methyl]-2,3-dimethoxybenzaldehyde
CID 117366491
1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)ethanamine
CID 84796637
6-chloro-2,3-dimethoxybenzaldehyde
CID 19389247
4-(2-aminopropyl)-5-chloro-2,3-dimethoxybenzaldehyde
CID 117397772
1-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 84707984
5-(1-aminoethyl)-2,3-dimethoxybenzaldehyde
CID 117298695
3-(1-aminoethyl)-4-methoxybenzaldehyde
CID 105438048
2,4,6-trimethoxy-5-[(E)-3-methylbut-1-enyl]benzene-1,3-dicarbaldehyde
CID 11437785

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-6-chloro-2,3-dimethoxybenzaldehyde?
The IUPAC name of 4-(1-aminoethyl)-6-chloro-2,3-dimethoxybenzaldehyde (CID 84704040) is 4-(1-aminoethyl)-6-chloro-2,3-dimethoxybenzaldehyde.
What is the SMILES notation for 4-(1-aminoethyl)-6-chloro-2,3-dimethoxybenzaldehyde?
The canonical SMILES for 4-(1-aminoethyl)-6-chloro-2,3-dimethoxybenzaldehyde is COc1c(C(C)N)cc(Cl)c(C=O)c1OC.
What is the InChIKey of 4-(1-aminoethyl)-6-chloro-2,3-dimethoxybenzaldehyde?
The InChIKey is AVIDICZGBLOWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-6(13)7-4-9(12)8(5-14)11(16-3)10(7)15-2/h4-6H,13H2,1-3H3.
What are the key properties of 4-(1-aminoethyl)-6-chloro-2,3-dimethoxybenzaldehyde?
4-(1-aminoethyl)-6-chloro-2,3-dimethoxybenzaldehyde has a molecular weight of 243.69 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-6-chloro-2,3-dimethoxybenzaldehyde is sourced from PubChem (CID 84704040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).