2-bromo-N-[[1-(4-methoxyphenyl)-2-phenylethylidene]amino]aniline

C21H19BrN2O — CID 59107128

IUPAC2-bromo-N-[[1-(4-methoxyphenyl)-2-phenylethylidene]amino]aniline
SMILESCOc1ccc(C(Cc2ccccc2)=NNc2ccccc2Br)cc1
InChIInChI=1S/C21H19BrN2O/c1-25-18-13-11-17(12-14-18)21(15-16-7-3-2-4-8-16)24-23-20-10-6-5-9-19(20)22/h2-14,23H,15H2,1H3
InChIKeyUKPJYJZKTSVDJO-UHFFFAOYSA-N
MW395.30 g/mol
LogP5.52
Rot. Bonds6

About 2-bromo-N-[[1-(4-methoxyphenyl)-2-phenylethylidene]amino]aniline

2-bromo-N-[[1-(4-methoxyphenyl)-2-phenylethylidene]amino]aniline (PubChem CID 59107128) has the molecular formula C21H19BrN2O and a molecular weight of 395.30 g/mol. Its IUPAC name is 2-bromo-N-[[1-(4-methoxyphenyl)-2-phenylethylidene]amino]aniline.

Molecular Properties

Compound Name2-bromo-N-[[1-(4-methoxyphenyl)-2-phenylethylidene]amino]aniline
PubChem CID59107128
Molecular FormulaC21H19BrN2O
Molecular Weight395.30 g/mol
Exact Mass394.07
IUPAC Name2-bromo-N-[[1-(4-methoxyphenyl)-2-phenylethylidene]amino]aniline
SMILESCOc1ccc(C(Cc2ccccc2)=NNc2ccccc2Br)cc1
InChIInChI=1S/C21H19BrN2O/c1-25-18-13-11-17(12-14-18)21(15-16-7-3-2-4-8-16)24-23-20-10-6-5-9-19(20)22/h2-14,23H,15H2,1H3
InChIKeyUKPJYJZKTSVDJO-UHFFFAOYSA-N
XLogP5.52
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.30
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

(NE)-N-[1-(4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
CID 10060245
(E)-N-methoxy-1-(4-methoxyphenyl)-2-phenylethanimine
CID 21473328
N-(2-bromophenyl)-4-methoxybenzamide
CID 5176555
(NE)-N-[1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine
CID 5402606
2-[(4-methoxyphenyl)hydrazinylidene]-2-phenylethanol
CID 88811907
2-bromo-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]aniline
CID 2827315
N-[(E)-[2-phenyl-1-(4-phenylphenyl)ethylidene]amino]aniline
CID 6369710
N-[(E)-1,2-diphenylethylideneamino]-4-methylaniline
CID 135051683
2-(4-methoxyphenyl)-N-methyl-1-pyridin-4-ylethanimine
CID 54101281
2-bromo-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 7937148
N-[(E)-[2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)ethylidene]amino]aniline
CID 6520440
1-(3-methoxyphenyl)-N-methyl-2-phenylethanimine
CID 130450692

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[1-(4-methoxyphenyl)-2-phenylethylidene]amino]aniline?
The IUPAC name of 2-bromo-N-[[1-(4-methoxyphenyl)-2-phenylethylidene]amino]aniline (CID 59107128) is 2-bromo-N-[[1-(4-methoxyphenyl)-2-phenylethylidene]amino]aniline.
What is the SMILES notation for 2-bromo-N-[[1-(4-methoxyphenyl)-2-phenylethylidene]amino]aniline?
The canonical SMILES for 2-bromo-N-[[1-(4-methoxyphenyl)-2-phenylethylidene]amino]aniline is COc1ccc(C(Cc2ccccc2)=NNc2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-[[1-(4-methoxyphenyl)-2-phenylethylidene]amino]aniline?
The InChIKey is UKPJYJZKTSVDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O/c1-25-18-13-11-17(12-14-18)21(15-16-7-3-2-4-8-16)24-23-20-10-6-5-9-19(20)22/h2-14,23H,15H2,1H3.
What are the key properties of 2-bromo-N-[[1-(4-methoxyphenyl)-2-phenylethylidene]amino]aniline?
2-bromo-N-[[1-(4-methoxyphenyl)-2-phenylethylidene]amino]aniline has a molecular weight of 395.30 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[1-(4-methoxyphenyl)-2-phenylethylidene]amino]aniline is sourced from PubChem (CID 59107128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).