2-bromo-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]aniline

C16H17BrN2O2 — CID 2827315

IUPAC2-bromo-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]aniline
SMILESCOc1ccc(C(C)=NNc2ccccc2Br)c(OC)c1
InChIInChI=1S/C16H17BrN2O2/c1-11(18-19-15-7-5-4-6-14(15)17)13-9-8-12(20-2)10-16(13)21-3/h4-10,19H,1-3H3
InChIKeyKVFOHYUYGRFQAB-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.30
Rot. Bonds5

About 2-bromo-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]aniline

2-bromo-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]aniline (PubChem CID 2827315) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-bromo-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]aniline.

Molecular Properties

Compound Name2-bromo-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]aniline
PubChem CID2827315
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-bromo-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]aniline
SMILESCOc1ccc(C(C)=NNc2ccccc2Br)c(OC)c1
InChIInChI=1S/C16H17BrN2O2/c1-11(18-19-15-7-5-4-6-14(15)17)13-9-8-12(20-2)10-16(13)21-3/h4-10,19H,1-3H3
InChIKeyKVFOHYUYGRFQAB-UHFFFAOYSA-N
XLogP4.30
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-(2,4-dimethoxyphenyl)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]ethanimine
CID 1032559
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1H-benzimidazol-2-amine
CID 7912538
1-(3,4-dimethoxyphenyl)-N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]methanamine
CID 133169032
5-methoxy-2-[(E)-C-methyl-N-[2-(trifluoromethyl)anilino]carbonimidoyl]phenol
CID 135614035
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(trifluoromethyl)quinazolin-4-amine
CID 8982089
N-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]-2-methylaniline
CID 9014681
(2R)-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxypropanamide
CID 8757489
1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(2,6-dimethylphenyl)thiourea
CID 7930426
2-bromo-N-[[1-(4-methoxyphenyl)-2-phenylethylidene]amino]aniline
CID 59107128
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 78596498
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6259144
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide
CID 4928995

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]aniline?
The IUPAC name of 2-bromo-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]aniline (CID 2827315) is 2-bromo-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]aniline.
What is the SMILES notation for 2-bromo-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]aniline?
The canonical SMILES for 2-bromo-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]aniline is COc1ccc(C(C)=NNc2ccccc2Br)c(OC)c1.
What is the InChIKey of 2-bromo-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]aniline?
The InChIKey is KVFOHYUYGRFQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11(18-19-15-7-5-4-6-14(15)17)13-9-8-12(20-2)10-16(13)21-3/h4-10,19H,1-3H3.
What are the key properties of 2-bromo-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]aniline?
2-bromo-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]aniline has a molecular weight of 349.23 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]aniline is sourced from PubChem (CID 2827315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).