N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-methylaniline

C16H17BrN2O2 — CID 9014557

IUPACN-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-methylaniline
SMILESCOc1cc(Br)c(/C=N\Nc2ccccc2C)cc1OC
InChIInChI=1S/C16H17BrN2O2/c1-11-6-4-5-7-14(11)19-18-10-12-8-15(20-2)16(21-3)9-13(12)17/h4-10,19H,1-3H3/b18-10-
InChIKeyANPZKTQFAASJPL-ZDLGFXPLSA-N
MW349.23 g/mol
LogP4.22
Rot. Bonds5

About N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-methylaniline

N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-methylaniline (PubChem CID 9014557) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-methylaniline.

Molecular Properties

Compound NameN-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-methylaniline
PubChem CID9014557
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-methylaniline
SMILESCOc1cc(Br)c(/C=N\Nc2ccccc2C)cc1OC
InChIInChI=1S/C16H17BrN2O2/c1-11-6-4-5-7-14(11)19-18-10-12-8-15(20-2)16(21-3)9-13(12)17/h4-10,19H,1-3H3/b18-10-
InChIKeyANPZKTQFAASJPL-ZDLGFXPLSA-N
XLogP4.22
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 ≤ 54.22
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

N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013436
4-bromo-2-methoxy-5-[(phenylhydrazinylidene)methyl]phenol
CID 169381526
2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 1225246
[5-bromo-2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] acetate
CID 169383922
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 1001834
1-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-(2-methylphenyl)urea
CID 3554168
N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline
CID 4212050
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 1001778
1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine
CID 13212556
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168616851
1-[[2-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-(2-methylphenyl)urea
CID 5038961
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylaniline
CID 9014704

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-methylaniline?
The IUPAC name of N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-methylaniline (CID 9014557) is N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-methylaniline.
What is the SMILES notation for N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-methylaniline?
The canonical SMILES for N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-methylaniline is COc1cc(Br)c(/C=N\Nc2ccccc2C)cc1OC.
What is the InChIKey of N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-methylaniline?
The InChIKey is ANPZKTQFAASJPL-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11-6-4-5-7-14(11)19-18-10-12-8-15(20-2)16(21-3)9-13(12)17/h4-10,19H,1-3H3/b18-10-.
What are the key properties of N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-methylaniline?
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-methylaniline has a molecular weight of 349.23 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-methylaniline is sourced from PubChem (CID 9014557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).