(2S)-2-(3-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde

C16H14BrCl2NO — CID 135207519

IUPAC(2S)-2-(3-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde
SMILESCN(Cc1ccc(Cl)cc1Cl)[C@H](C=O)c1cccc(Br)c1
InChIInChI=1S/C16H14BrCl2NO/c1-20(9-12-5-6-14(18)8-15(12)19)16(10-21)11-3-2-4-13(17)7-11/h2-8,10,16H,9H2,1H3/t16-/m1/s1
InChIKeyOYQGFZQLHDLFBT-MRXNPFEDSA-N
MW387.10 g/mol
LogP5.13
Rot. Bonds5

About (2S)-2-(3-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde

(2S)-2-(3-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde (PubChem CID 135207519) has the molecular formula C16H14BrCl2NO and a molecular weight of 387.10 g/mol. Its IUPAC name is (2S)-2-(3-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde.

Molecular Properties

Compound Name(2S)-2-(3-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde
PubChem CID135207519
Molecular FormulaC16H14BrCl2NO
Molecular Weight387.10 g/mol
Exact Mass384.96
IUPAC Name(2S)-2-(3-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde
SMILESCN(Cc1ccc(Cl)cc1Cl)[C@H](C=O)c1cccc(Br)c1
InChIInChI=1S/C16H14BrCl2NO/c1-20(9-12-5-6-14(18)8-15(12)19)16(10-21)11-3-2-4-13(17)7-11/h2-8,10,16H,9H2,1H3/t16-/m1/s1
InChIKeyOYQGFZQLHDLFBT-MRXNPFEDSA-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
2-[2-(3-Bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde
CID 87151253
2-[2-(3-Bromophenyl)propan-2-ylamino]-2-(3,4-dichlorophenyl)acetaldehyde
CID 87151254
2-(4-Bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde
CID 87407530
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-[(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
3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628619
2-[(4-Bromophenyl)methyl-methylamino]-1-(2,4-dichlorophenyl)ethanone
CID 60650670

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde?
The IUPAC name of (2S)-2-(3-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde (CID 135207519) is (2S)-2-(3-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde.
What is the SMILES notation for (2S)-2-(3-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde?
The canonical SMILES for (2S)-2-(3-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde is CN(Cc1ccc(Cl)cc1Cl)[C@H](C=O)c1cccc(Br)c1.
What is the InChIKey of (2S)-2-(3-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde?
The InChIKey is OYQGFZQLHDLFBT-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H14BrCl2NO/c1-20(9-12-5-6-14(18)8-15(12)19)16(10-21)11-3-2-4-13(17)7-11/h2-8,10,16H,9H2,1H3/t16-/m1/s1.
What are the key properties of (2S)-2-(3-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde?
(2S)-2-(3-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 (2S)-2-(3-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetaldehyde is sourced from PubChem (CID 135207519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).