2-chloro-6-[(2-methoxyphenyl)methyl-methylamino]benzaldehyde

C16H16ClNO2 — CID 61418205

IUPAC2-chloro-6-[(2-methoxyphenyl)methyl-methylamino]benzaldehyde
SMILESCOc1ccccc1CN(C)c1cccc(Cl)c1C=O
InChIInChI=1S/C16H16ClNO2/c1-18(10-12-6-3-4-9-16(12)20-2)15-8-5-7-14(17)13(15)11-19/h3-9,11H,10H2,1-2H3
InChIKeyZITFNCWHZDDETR-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.80
Rot. Bonds5

About 2-chloro-6-[(2-methoxyphenyl)methyl-methylamino]benzaldehyde

2-chloro-6-[(2-methoxyphenyl)methyl-methylamino]benzaldehyde (PubChem CID 61418205) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2-chloro-6-[(2-methoxyphenyl)methyl-methylamino]benzaldehyde.

Molecular Properties

Compound Name2-chloro-6-[(2-methoxyphenyl)methyl-methylamino]benzaldehyde
PubChem CID61418205
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name2-chloro-6-[(2-methoxyphenyl)methyl-methylamino]benzaldehyde
SMILESCOc1ccccc1CN(C)c1cccc(Cl)c1C=O
InChIInChI=1S/C16H16ClNO2/c1-18(10-12-6-3-4-9-16(12)20-2)15-8-5-7-14(17)13(15)11-19/h3-9,11H,10H2,1-2H3
InChIKeyZITFNCWHZDDETR-UHFFFAOYSA-N
XLogP3.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.80
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-chloro-6-[furan-3-ylmethyl(methyl)amino]benzaldehyde
CID 61422339
5-[(2-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carbaldehyde
CID 61417546
4-bromo-2,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 30328481
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-methylaniline
CID 107113327
3-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 55684776
2-chloro-6-[(3,4-dimethoxyphenyl)methoxy]benzaldehyde
CID 60790504
4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 63094373
5-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarbothioamide
CID 62493688
N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-N-methylaniline
CID 61416767
2-[2-[benzyl(methyl)amino]ethoxy]-6-chlorobenzaldehyde
CID 18933661
4-chloro-2-[(2-methoxy-N-methylanilino)methyl]phenol
CID 82978276

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2-methoxyphenyl)methyl-methylamino]benzaldehyde?
The IUPAC name of 2-chloro-6-[(2-methoxyphenyl)methyl-methylamino]benzaldehyde (CID 61418205) is 2-chloro-6-[(2-methoxyphenyl)methyl-methylamino]benzaldehyde.
What is the SMILES notation for 2-chloro-6-[(2-methoxyphenyl)methyl-methylamino]benzaldehyde?
The canonical SMILES for 2-chloro-6-[(2-methoxyphenyl)methyl-methylamino]benzaldehyde is COc1ccccc1CN(C)c1cccc(Cl)c1C=O.
What is the InChIKey of 2-chloro-6-[(2-methoxyphenyl)methyl-methylamino]benzaldehyde?
The InChIKey is ZITFNCWHZDDETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-18(10-12-6-3-4-9-16(12)20-2)15-8-5-7-14(17)13(15)11-19/h3-9,11H,10H2,1-2H3.
What are the key properties of 2-chloro-6-[(2-methoxyphenyl)methyl-methylamino]benzaldehyde?
2-chloro-6-[(2-methoxyphenyl)methyl-methylamino]benzaldehyde has a molecular weight of 289.76 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2-methoxyphenyl)methyl-methylamino]benzaldehyde is sourced from PubChem (CID 61418205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).