2-chloro-6-[2-methoxyethyl(3-methoxypropyl)amino]benzaldehyde

C14H20ClNO3 — CID 54989930

IUPAC2-chloro-6-[2-methoxyethyl(3-methoxypropyl)amino]benzaldehyde
SMILESCOCCCN(CCOC)c1cccc(Cl)c1C=O
InChIInChI=1S/C14H20ClNO3/c1-18-9-4-7-16(8-10-19-2)14-6-3-5-13(15)12(14)11-17/h3,5-6,11H,4,7-10H2,1-2H3
InChIKeyBRXKMGYVCZXQSL-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.64
Rot. Bonds9

About 2-chloro-6-[2-methoxyethyl(3-methoxypropyl)amino]benzaldehyde

2-chloro-6-[2-methoxyethyl(3-methoxypropyl)amino]benzaldehyde (PubChem CID 54989930) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-chloro-6-[2-methoxyethyl(3-methoxypropyl)amino]benzaldehyde.

Molecular Properties

Compound Name2-chloro-6-[2-methoxyethyl(3-methoxypropyl)amino]benzaldehyde
PubChem CID54989930
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name2-chloro-6-[2-methoxyethyl(3-methoxypropyl)amino]benzaldehyde
SMILESCOCCCN(CCOC)c1cccc(Cl)c1C=O
InChIInChI=1S/C14H20ClNO3/c1-18-9-4-7-16(8-10-19-2)14-6-3-5-13(15)12(14)11-17/h3,5-6,11H,4,7-10H2,1-2H3
InChIKeyBRXKMGYVCZXQSL-UHFFFAOYSA-N
XLogP2.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 63786522
2-[bis(3-methylbutyl)amino]-6-chlorobenzaldehyde
CID 107870270
2-chloro-6-(4-methoxybutoxy)benzaldehyde
CID 104647699
3-chloro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 61418447
2-chloro-N-ethyl-N-(2-methoxyethyl)aniline
CID 139729852
2-[bis(2-methoxyethyl)amino]-6-chlorobenzenecarbothioamide
CID 62496660
2-chloro-6-[ethyl(2-ethylbutyl)amino]benzaldehyde
CID 63536486
2-fluoro-6-[2-methoxyethyl(3-methoxypropyl)amino]benzoic acid
CID 79511951
2-(3-chloro-N-ethyl-2-formylanilino)-N,N-dimethylacetamide
CID 54948718
2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 54989680
2,6-dichlorobenzaldehyde;ethane
CID 90823593
1-[3-chloro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol
CID 62910072

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-methoxyethyl(3-methoxypropyl)amino]benzaldehyde?
The IUPAC name of 2-chloro-6-[2-methoxyethyl(3-methoxypropyl)amino]benzaldehyde (CID 54989930) is 2-chloro-6-[2-methoxyethyl(3-methoxypropyl)amino]benzaldehyde.
What is the SMILES notation for 2-chloro-6-[2-methoxyethyl(3-methoxypropyl)amino]benzaldehyde?
The canonical SMILES for 2-chloro-6-[2-methoxyethyl(3-methoxypropyl)amino]benzaldehyde is COCCCN(CCOC)c1cccc(Cl)c1C=O.
What is the InChIKey of 2-chloro-6-[2-methoxyethyl(3-methoxypropyl)amino]benzaldehyde?
The InChIKey is BRXKMGYVCZXQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-18-9-4-7-16(8-10-19-2)14-6-3-5-13(15)12(14)11-17/h3,5-6,11H,4,7-10H2,1-2H3.
What are the key properties of 2-chloro-6-[2-methoxyethyl(3-methoxypropyl)amino]benzaldehyde?
2-chloro-6-[2-methoxyethyl(3-methoxypropyl)amino]benzaldehyde has a molecular weight of 285.77 g/mol, XLogP of 2.64, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-methoxyethyl(3-methoxypropyl)amino]benzaldehyde is sourced from PubChem (CID 54989930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).