4-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-3,5-dichloroaniline

C15H14BrCl2N3 — CID 20513013

IUPAC4-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-3,5-dichloroaniline
SMILESCN(C)c1ccc(/C=N/c2c(Cl)cc(N)cc2Cl)cc1Br
InChIInChI=1S/C15H14BrCl2N3/c1-21(2)14-4-3-9(5-11(14)16)8-20-15-12(17)6-10(19)7-13(15)18/h3-8H,19H2,1-2H3/b20-8+
InChIKeyDLWBRLRUZRXCJO-DNTJNYDQSA-N
MW387.11 g/mol
LogP5.15
Rot. Bonds3

About 4-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-3,5-dichloroaniline

4-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-3,5-dichloroaniline (PubChem CID 20513013) has the molecular formula C15H14BrCl2N3 and a molecular weight of 387.11 g/mol. Its IUPAC name is 4-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-3,5-dichloroaniline.

Molecular Properties

Compound Name4-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-3,5-dichloroaniline
PubChem CID20513013
Molecular FormulaC15H14BrCl2N3
Molecular Weight387.11 g/mol
Exact Mass384.97
IUPAC Name4-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-3,5-dichloroaniline
SMILESCN(C)c1ccc(/C=N/c2c(Cl)cc(N)cc2Cl)cc1Br
InChIInChI=1S/C15H14BrCl2N3/c1-21(2)14-4-3-9(5-11(14)16)8-20-15-12(17)6-10(19)7-13(15)18/h3-8H,19H2,1-2H3/b20-8+
InChIKeyDLWBRLRUZRXCJO-DNTJNYDQSA-N
XLogP5.15
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.11
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N'-[4-[(3-bromophenyl)methylamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide
CID 13059659
N'-[4-[[3-bromo-4-(dimethylamino)phenyl]methylamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide
CID 13059665
2,6-Dichloro-4-[[4-(dimethylamino)-2-fluorophenyl]methylideneamino]aniline
CID 13059678
Acetamide, N-[4-(3-bromobenzylidenamino)-2,5-dichlorophenyl)-
CID 541228
N-(4-amino-3,5-dichlorophenyl)-N-[4-(dimethylamino)benzylidene]amine
CID 1225127
2,6-Dichloro-4-[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]aniline
CID 13059667
2,6-Dichloro-4-[[4-(diethylamino)phenyl]methylideneamino]aniline
CID 13059674
N'-[4-[(3-bromophenyl)methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide
CID 13064599
N'-[4-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide
CID 13064605
N'-[4-[[2-bromo-4-(dimethylamino)phenyl]methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide
CID 13064607
4-[[2-Bromo-4-(dimethylamino)phenyl]methylideneamino]-3,5-dichloroaniline
CID 20512993
4-[(3-Bromophenyl)methylideneamino]-3,5-dichloroaniline
CID 20512996

Frequently Asked Questions

What is the IUPAC name of 4-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-3,5-dichloroaniline?
The IUPAC name of 4-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-3,5-dichloroaniline (CID 20513013) is 4-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-3,5-dichloroaniline.
What is the SMILES notation for 4-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-3,5-dichloroaniline?
The canonical SMILES for 4-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-3,5-dichloroaniline is CN(C)c1ccc(/C=N/c2c(Cl)cc(N)cc2Cl)cc1Br.
What is the InChIKey of 4-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-3,5-dichloroaniline?
The InChIKey is DLWBRLRUZRXCJO-DNTJNYDQSA-N. The full InChI is InChI=1S/C15H14BrCl2N3/c1-21(2)14-4-3-9(5-11(14)16)8-20-15-12(17)6-10(19)7-13(15)18/h3-8H,19H2,1-2H3/b20-8+.
What are the key properties of 4-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-3,5-dichloroaniline?
4-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-3,5-dichloroaniline has a molecular weight of 387.11 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-3,5-dichloroaniline is sourced from PubChem (CID 20513013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).