N-[(3-bromo-2-chloro-6-methoxyphenyl)methylideneamino]aniline

C14H12BrClN2O — CID 169384145

IUPACN-[(3-bromo-2-chloro-6-methoxyphenyl)methylideneamino]aniline
SMILESCOc1ccc(Br)c(Cl)c1C=NNc1ccccc1
InChIInChI=1S/C14H12BrClN2O/c1-19-13-8-7-12(15)14(16)11(13)9-17-18-10-5-3-2-4-6-10/h2-9,18H,1H3
InChIKeyXGZWJNAUOPKCMR-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.56
Rot. Bonds4

About N-[(3-bromo-2-chloro-6-methoxyphenyl)methylideneamino]aniline

N-[(3-bromo-2-chloro-6-methoxyphenyl)methylideneamino]aniline (PubChem CID 169384145) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is N-[(3-bromo-2-chloro-6-methoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(3-bromo-2-chloro-6-methoxyphenyl)methylideneamino]aniline
PubChem CID169384145
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC NameN-[(3-bromo-2-chloro-6-methoxyphenyl)methylideneamino]aniline
SMILESCOc1ccc(Br)c(Cl)c1C=NNc1ccccc1
InChIInChI=1S/C14H12BrClN2O/c1-19-13-8-7-12(15)14(16)11(13)9-17-18-10-5-3-2-4-6-10/h2-9,18H,1H3
InChIKeyXGZWJNAUOPKCMR-UHFFFAOYSA-N
XLogP4.56
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.56
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

N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline
CID 6073337
N-[(2,6-dichloro-3,4-dimethoxyphenyl)methylideneamino]aniline
CID 169383624
N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]aniline
CID 110504916
4-bromo-2-methoxy-5-[(phenylhydrazinylidene)methyl]phenol
CID 169381526
N-[(2,4,6-trimethoxyphenyl)methylideneamino]aniline
CID 169381531
N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline
CID 5062184
N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]aniline
CID 126015225
N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]aniline
CID 110504857
N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline
CID 4212050
N-[(4-bromo-3-fluoro-2-methoxyphenyl)methylideneamino]aniline
CID 169384109
[5-bromo-2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] acetate
CID 169383922
methyl 3-bromo-2-[(phenylhydrazinylidene)methyl]benzoate
CID 169384174

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-chloro-6-methoxyphenyl)methylideneamino]aniline?
The IUPAC name of N-[(3-bromo-2-chloro-6-methoxyphenyl)methylideneamino]aniline (CID 169384145) is N-[(3-bromo-2-chloro-6-methoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(3-bromo-2-chloro-6-methoxyphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(3-bromo-2-chloro-6-methoxyphenyl)methylideneamino]aniline is COc1ccc(Br)c(Cl)c1C=NNc1ccccc1.
What is the InChIKey of N-[(3-bromo-2-chloro-6-methoxyphenyl)methylideneamino]aniline?
The InChIKey is XGZWJNAUOPKCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-19-13-8-7-12(15)14(16)11(13)9-17-18-10-5-3-2-4-6-10/h2-9,18H,1H3.
What are the key properties of N-[(3-bromo-2-chloro-6-methoxyphenyl)methylideneamino]aniline?
N-[(3-bromo-2-chloro-6-methoxyphenyl)methylideneamino]aniline has a molecular weight of 339.62 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-chloro-6-methoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 169384145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).