N-[(E)-1-(4-bromophenyl)ethylideneamino]aniline

C14H13BrN2 — CID 11323709

IUPACN-[(E)-1-(4-bromophenyl)ethylideneamino]aniline
SMILESC/C(=N\Nc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H13BrN2/c1-11(12-7-9-13(15)10-8-12)16-17-14-5-3-2-4-6-14/h2-10,17H,1H3/b16-11+
InChIKeyKKKPCJMDBZKMEY-LFIBNONCSA-N
MW289.18 g/mol
LogP4.29
Rot. Bonds3

About N-[(E)-1-(4-bromophenyl)ethylideneamino]aniline

N-[(E)-1-(4-bromophenyl)ethylideneamino]aniline (PubChem CID 11323709) has the molecular formula C14H13BrN2 and a molecular weight of 289.18 g/mol. Its IUPAC name is N-[(E)-1-(4-bromophenyl)ethylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-1-(4-bromophenyl)ethylideneamino]aniline
PubChem CID11323709
Molecular FormulaC14H13BrN2
Molecular Weight289.18 g/mol
Exact Mass288.03
IUPAC NameN-[(E)-1-(4-bromophenyl)ethylideneamino]aniline
SMILESC/C(=N\Nc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H13BrN2/c1-11(12-7-9-13(15)10-8-12)16-17-14-5-3-2-4-6-14/h2-10,17H,1H3/b16-11+
InChIKeyKKKPCJMDBZKMEY-LFIBNONCSA-N
XLogP4.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 54.29
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]aniline?
The IUPAC name of N-[(E)-1-(4-bromophenyl)ethylideneamino]aniline (CID 11323709) is N-[(E)-1-(4-bromophenyl)ethylideneamino]aniline.
What is the SMILES notation for N-[(E)-1-(4-bromophenyl)ethylideneamino]aniline?
The canonical SMILES for N-[(E)-1-(4-bromophenyl)ethylideneamino]aniline is C/C(=N\Nc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N-[(E)-1-(4-bromophenyl)ethylideneamino]aniline?
The InChIKey is KKKPCJMDBZKMEY-LFIBNONCSA-N. The full InChI is InChI=1S/C14H13BrN2/c1-11(12-7-9-13(15)10-8-12)16-17-14-5-3-2-4-6-14/h2-10,17H,1H3/b16-11+.
What are the key properties of N-[(E)-1-(4-bromophenyl)ethylideneamino]aniline?
N-[(E)-1-(4-bromophenyl)ethylideneamino]aniline has a molecular weight of 289.18 g/mol, XLogP of 4.29, 3 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]aniline is sourced from PubChem (CID 11323709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).