N-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]-2-methylaniline

C16H17BrN2O — CID 9014681

IUPACN-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]-2-methylaniline
SMILESCOc1ccc(/C(C)=N\Nc2ccccc2C)cc1Br
InChIInChI=1S/C16H17BrN2O/c1-11-6-4-5-7-15(11)19-18-12(2)13-8-9-16(20-3)14(17)10-13/h4-10,19H,1-3H3/b18-12-
InChIKeyXIUBVVXTLURVEO-PDGQHHTCSA-N
MW333.23 g/mol
LogP4.60
Rot. Bonds4

About N-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]-2-methylaniline

N-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]-2-methylaniline (PubChem CID 9014681) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]-2-methylaniline.

Molecular Properties

Compound NameN-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]-2-methylaniline
PubChem CID9014681
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]-2-methylaniline
SMILESCOc1ccc(/C(C)=N\Nc2ccccc2C)cc1Br
InChIInChI=1S/C16H17BrN2O/c1-11-6-4-5-7-15(11)19-18-12(2)13-8-9-16(20-3)14(17)10-13/h4-10,19H,1-3H3/b18-12-
InChIKeyXIUBVVXTLURVEO-PDGQHHTCSA-N
XLogP4.60
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.60
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

3-bromo-4-methoxy-N-(2-methylphenyl)benzamide
CID 798203
N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-methylaniline
CID 9014574
N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2-methylaniline
CID 9014748
2-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]guanidine
CID 9058052
2-methoxy-N-[(E)-1-[4-[4-[C-methyl-N-[(2-methylphenyl)methyl]carbonimidoyl]phenyl]phenyl]ethylideneamino]aniline
CID 172975856
2-bromo-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]aniline
CID 2827315
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-methylaniline
CID 9014557
N-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]-4-nitrobenzamide
CID 9014955
(3S)-N-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9238159
methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate
CID 1226570
1-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 6108849
3-bromo-4-methoxy-N-[(2-methoxyphenyl)carbamothioyl]benzamide
CID 1139228

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]-2-methylaniline?
The IUPAC name of N-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]-2-methylaniline (CID 9014681) is N-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]-2-methylaniline.
What is the SMILES notation for N-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]-2-methylaniline?
The canonical SMILES for N-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]-2-methylaniline is COc1ccc(/C(C)=N\Nc2ccccc2C)cc1Br.
What is the InChIKey of N-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]-2-methylaniline?
The InChIKey is XIUBVVXTLURVEO-PDGQHHTCSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11-6-4-5-7-15(11)19-18-12(2)13-8-9-16(20-3)14(17)10-13/h4-10,19H,1-3H3/b18-12-.
What are the key properties of N-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]-2-methylaniline?
N-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]-2-methylaniline has a molecular weight of 333.23 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]-2-methylaniline is sourced from PubChem (CID 9014681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).