2-[(3,5-dichloro-2-methoxyphenyl)methyl-methylamino]acetaldehyde

C11H13Cl2NO2 — CID 115223085

IUPAC2-[(3,5-dichloro-2-methoxyphenyl)methyl-methylamino]acetaldehyde
SMILESCOc1c(Cl)cc(Cl)cc1CN(C)CC=O
InChIInChI=1S/C11H13Cl2NO2/c1-14(3-4-15)7-8-5-9(12)6-10(13)11(8)16-2/h4-6H,3,7H2,1-2H3
InChIKeyCRKJSUINIYCKIY-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.63
Rot. Bonds5

About 2-[(3,5-dichloro-2-methoxyphenyl)methyl-methylamino]acetaldehyde

2-[(3,5-dichloro-2-methoxyphenyl)methyl-methylamino]acetaldehyde (PubChem CID 115223085) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is 2-[(3,5-dichloro-2-methoxyphenyl)methyl-methylamino]acetaldehyde.

Molecular Properties

Compound Name2-[(3,5-dichloro-2-methoxyphenyl)methyl-methylamino]acetaldehyde
PubChem CID115223085
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name2-[(3,5-dichloro-2-methoxyphenyl)methyl-methylamino]acetaldehyde
SMILESCOc1c(Cl)cc(Cl)cc1CN(C)CC=O
InChIInChI=1S/C11H13Cl2NO2/c1-14(3-4-15)7-8-5-9(12)6-10(13)11(8)16-2/h4-6H,3,7H2,1-2H3
InChIKeyCRKJSUINIYCKIY-UHFFFAOYSA-N
XLogP2.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.63
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

1-(3,5-dichloro-2-methoxyphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260966
2-[(2,5-dichloro-4-methoxyphenyl)methyl-methylamino]acetaldehyde
CID 115223086
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
1,5-dichloro-3-(2-chloroethyl)-2-methoxybenzene
CID 82477195
2-[(3,5-dichloro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 122036939
1-(5-chloro-2-methoxy-3-methylphenyl)-N-(chloromethyl)-N-methylmethanamine
CID 115263199
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetaldehyde
CID 115223032
1-(2-bromoethyl)-3,5-dichloro-2-methoxybenzene
CID 82489523
(E)-4-(3,5-dichloro-2-methoxyphenyl)but-2-enoic acid
CID 116866031
1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117344115
1,5-dichloro-2-methoxy-3-(2,2,2-trifluoroethyl)benzene
CID 116932155
2-(3,5-dichloro-2-methoxyphenyl)ethyl-methylcyanamide
CID 117043509

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2-methoxyphenyl)methyl-methylamino]acetaldehyde?
The IUPAC name of 2-[(3,5-dichloro-2-methoxyphenyl)methyl-methylamino]acetaldehyde (CID 115223085) is 2-[(3,5-dichloro-2-methoxyphenyl)methyl-methylamino]acetaldehyde.
What is the SMILES notation for 2-[(3,5-dichloro-2-methoxyphenyl)methyl-methylamino]acetaldehyde?
The canonical SMILES for 2-[(3,5-dichloro-2-methoxyphenyl)methyl-methylamino]acetaldehyde is COc1c(Cl)cc(Cl)cc1CN(C)CC=O.
What is the InChIKey of 2-[(3,5-dichloro-2-methoxyphenyl)methyl-methylamino]acetaldehyde?
The InChIKey is CRKJSUINIYCKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-14(3-4-15)7-8-5-9(12)6-10(13)11(8)16-2/h4-6H,3,7H2,1-2H3.
What are the key properties of 2-[(3,5-dichloro-2-methoxyphenyl)methyl-methylamino]acetaldehyde?
2-[(3,5-dichloro-2-methoxyphenyl)methyl-methylamino]acetaldehyde has a molecular weight of 262.14 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-2-methoxyphenyl)methyl-methylamino]acetaldehyde is sourced from PubChem (CID 115223085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).