1-(4-bromophenyl)-N-[6-[(3-bromophenyl)methylideneamino]hexyl]methanimine

C20H22Br2N2 — CID 3771816

IUPAC1-(4-bromophenyl)-N-[6-[(3-bromophenyl)methylideneamino]hexyl]methanimine
SMILESBrc1ccc(/C=N/CCCCCC/N=C/c2cccc(Br)c2)cc1
InChIInChI=1S/C20H22Br2N2/c21-19-10-8-17(9-11-19)15-23-12-3-1-2-4-13-24-16-18-6-5-7-20(22)14-18/h5-11,14-16H,1-4,12-13H2/b23-15+,24-16+
InChIKeyURRJHLBBWLHIHL-DFEHQXHXSA-N
MW450.22 g/mol
LogP6.31
Rot. Bonds9

About 1-(4-bromophenyl)-N-[6-[(3-bromophenyl)methylideneamino]hexyl]methanimine

1-(4-bromophenyl)-N-[6-[(3-bromophenyl)methylideneamino]hexyl]methanimine (PubChem CID 3771816) has the molecular formula C20H22Br2N2 and a molecular weight of 450.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[6-[(3-bromophenyl)methylideneamino]hexyl]methanimine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[6-[(3-bromophenyl)methylideneamino]hexyl]methanimine
PubChem CID3771816
Molecular FormulaC20H22Br2N2
Molecular Weight450.22 g/mol
Exact Mass448.01
IUPAC Name1-(4-bromophenyl)-N-[6-[(3-bromophenyl)methylideneamino]hexyl]methanimine
SMILESBrc1ccc(/C=N/CCCCCC/N=C/c2cccc(Br)c2)cc1
InChIInChI=1S/C20H22Br2N2/c21-19-10-8-17(9-11-19)15-23-12-3-1-2-4-13-24-16-18-6-5-7-20(22)14-18/h5-11,14-16H,1-4,12-13H2/b23-15+,24-16+
InChIKeyURRJHLBBWLHIHL-DFEHQXHXSA-N
XLogP6.31
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.22
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-N-decylmethanimine
CID 525668
2-[(4-bromophenyl)methylideneamino]ethanamine
CID 141259105
1-bromo-3-[(Z)-2-(4-bromophenyl)ethenyl]benzene
CID 67720671
4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol
CID 139081919
N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine
CID 101093995
6-[[4-(6-hydroxyhexyliminomethyl)phenyl]methylideneamino]hexan-1-ol
CID 59344390
6-[[4-(6-aminohexyliminomethyl)phenyl]methylideneamino]hexan-1-amine
CID 59344399
3-[3-[(3-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
CID 91295364
N-(3-bromophenyl)-1-(4-bromophenyl)methanimine
CID 525653
N-hexyl-1-naphthalen-2-ylmethanimine
CID 10857572
1-bromo-3-[(Z)-2-(3-bromophenyl)ethenyl]benzene
CID 15605739
3-bromobenzaldehyde;hydrobromide
CID 87841856

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[6-[(3-bromophenyl)methylideneamino]hexyl]methanimine?
The IUPAC name of 1-(4-bromophenyl)-N-[6-[(3-bromophenyl)methylideneamino]hexyl]methanimine (CID 3771816) is 1-(4-bromophenyl)-N-[6-[(3-bromophenyl)methylideneamino]hexyl]methanimine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[6-[(3-bromophenyl)methylideneamino]hexyl]methanimine?
The canonical SMILES for 1-(4-bromophenyl)-N-[6-[(3-bromophenyl)methylideneamino]hexyl]methanimine is Brc1ccc(/C=N/CCCCCC/N=C/c2cccc(Br)c2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[6-[(3-bromophenyl)methylideneamino]hexyl]methanimine?
The InChIKey is URRJHLBBWLHIHL-DFEHQXHXSA-N. The full InChI is InChI=1S/C20H22Br2N2/c21-19-10-8-17(9-11-19)15-23-12-3-1-2-4-13-24-16-18-6-5-7-20(22)14-18/h5-11,14-16H,1-4,12-13H2/b23-15+,24-16+.
What are the key properties of 1-(4-bromophenyl)-N-[6-[(3-bromophenyl)methylideneamino]hexyl]methanimine?
1-(4-bromophenyl)-N-[6-[(3-bromophenyl)methylideneamino]hexyl]methanimine has a molecular weight of 450.22 g/mol, XLogP of 6.31, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[6-[(3-bromophenyl)methylideneamino]hexyl]methanimine is sourced from PubChem (CID 3771816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).