N-[(E)-1-(4-bromophenyl)ethylideneamino]-1-(2,6-dichlorophenyl)methanamine

C15H13BrCl2N2 — CID 19060136

IUPACN-[(E)-1-(4-bromophenyl)ethylideneamino]-1-(2,6-dichlorophenyl)methanamine
SMILESC/C(=N\NCc1c(Cl)cccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrCl2N2/c1-10(11-5-7-12(16)8-6-11)20-19-9-13-14(17)3-2-4-15(13)18/h2-8,19H,9H2,1H3/b20-10+
InChIKeyKWRPKJFVOPXKBR-KEBDBYFISA-N
MW372.09 g/mol
LogP5.27
Rot. Bonds4

About N-[(E)-1-(4-bromophenyl)ethylideneamino]-1-(2,6-dichlorophenyl)methanamine

N-[(E)-1-(4-bromophenyl)ethylideneamino]-1-(2,6-dichlorophenyl)methanamine (PubChem CID 19060136) has the molecular formula C15H13BrCl2N2 and a molecular weight of 372.09 g/mol. Its IUPAC name is N-[(E)-1-(4-bromophenyl)ethylideneamino]-1-(2,6-dichlorophenyl)methanamine.

Molecular Properties

Compound NameN-[(E)-1-(4-bromophenyl)ethylideneamino]-1-(2,6-dichlorophenyl)methanamine
PubChem CID19060136
Molecular FormulaC15H13BrCl2N2
Molecular Weight372.09 g/mol
Exact Mass369.96
IUPAC NameN-[(E)-1-(4-bromophenyl)ethylideneamino]-1-(2,6-dichlorophenyl)methanamine
SMILESC/C(=N\NCc1c(Cl)cccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrCl2N2/c1-10(11-5-7-12(16)8-6-11)20-19-9-13-14(17)3-2-4-15(13)18/h2-8,19H,9H2,1H3/b20-10+
InChIKeyKWRPKJFVOPXKBR-KEBDBYFISA-N
XLogP5.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.09
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-bromophenyl)ethylideneamino]-1-(2,6-dichlorophenyl)methanamine?
The IUPAC name of N-[(E)-1-(4-bromophenyl)ethylideneamino]-1-(2,6-dichlorophenyl)methanamine (CID 19060136) is N-[(E)-1-(4-bromophenyl)ethylideneamino]-1-(2,6-dichlorophenyl)methanamine.
What is the SMILES notation for N-[(E)-1-(4-bromophenyl)ethylideneamino]-1-(2,6-dichlorophenyl)methanamine?
The canonical SMILES for N-[(E)-1-(4-bromophenyl)ethylideneamino]-1-(2,6-dichlorophenyl)methanamine is C/C(=N\NCc1c(Cl)cccc1Cl)c1ccc(Br)cc1.
What is the InChIKey of N-[(E)-1-(4-bromophenyl)ethylideneamino]-1-(2,6-dichlorophenyl)methanamine?
The InChIKey is KWRPKJFVOPXKBR-KEBDBYFISA-N. The full InChI is InChI=1S/C15H13BrCl2N2/c1-10(11-5-7-12(16)8-6-11)20-19-9-13-14(17)3-2-4-15(13)18/h2-8,19H,9H2,1H3/b20-10+.
What are the key properties of N-[(E)-1-(4-bromophenyl)ethylideneamino]-1-(2,6-dichlorophenyl)methanamine?
N-[(E)-1-(4-bromophenyl)ethylideneamino]-1-(2,6-dichlorophenyl)methanamine has a molecular weight of 372.09 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-bromophenyl)ethylideneamino]-1-(2,6-dichlorophenyl)methanamine is sourced from PubChem (CID 19060136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).