2-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde

C16H14BrCl2NO — CID 87407530

IUPAC2-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde
SMILESCN(Cc1ccc(Cl)cc1Cl)C(C=O)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrCl2NO/c1-20(9-12-4-7-14(18)8-15(12)19)16(10-21)11-2-5-13(17)6-3-11/h2-8,10,16H,9H2,1H3
InChIKeyALJKCUWVCBSUMO-UHFFFAOYSA-N
MW387.10 g/mol
LogP5.13
Rot. Bonds5

About 2-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde

2-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde (PubChem CID 87407530) has the molecular formula C16H14BrCl2NO and a molecular weight of 387.10 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde
PubChem CID87407530
Molecular FormulaC16H14BrCl2NO
Molecular Weight387.10 g/mol
Exact Mass384.96
IUPAC Name2-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde
SMILESCN(Cc1ccc(Cl)cc1Cl)C(C=O)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrCl2NO/c1-20(9-12-4-7-14(18)8-15(12)19)16(10-21)11-2-5-13(17)6-3-11/h2-8,10,16H,9H2,1H3
InChIKeyALJKCUWVCBSUMO-UHFFFAOYSA-N
XLogP5.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.10
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Bromophenyl)-2-((2,4-dichlorobenzyl)(methyl)amino)ethanone
CID 67455587
1-(4-Bromophenyl)-2-((2,4-dichlorobenzyl)(methyl)amino)ethanone
CID 22386828
4-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628596
2-[2-(3-Bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde
CID 87151253
2-(3-Bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde
CID 87407552
2-[1-(3-Bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde
CID 123908842
(2S)-2-(3-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde
CID 135207519
(2S)-2-[(4-bromophenyl)methylamino]-2-(2-chlorophenyl)acetaldehyde
CID 155128695
5-Bromo-7-chloro-2-[(4-chlorophenyl)methyl]-1,3-dihydroisoindole-1-carbaldehyde
CID 174526589
5-Bromo-2-[(4-chlorophenyl)methyl]-7-methyl-1,3-dihydroisoindole-1-carbaldehyde
CID 174539863
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide
CID 7948938
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2,6-dichlorophenyl)acetamide
CID 7948939

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde?
The IUPAC name of 2-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde (CID 87407530) is 2-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde.
What is the SMILES notation for 2-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde?
The canonical SMILES for 2-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde is CN(Cc1ccc(Cl)cc1Cl)C(C=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde?
The InChIKey is ALJKCUWVCBSUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrCl2NO/c1-20(9-12-4-7-14(18)8-15(12)19)16(10-21)11-2-5-13(17)6-3-11/h2-8,10,16H,9H2,1H3.
What are the key properties of 2-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde?
2-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde has a molecular weight of 387.10 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde is sourced from PubChem (CID 87407530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).