N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline

C14H13BrN2O — CID 6073337

IUPACN-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline
SMILESCOc1ccc(/C=N\Nc2ccccc2)cc1Br
InChIInChI=1S/C14H13BrN2O/c1-18-14-8-7-11(9-13(14)15)10-16-17-12-5-3-2-4-6-12/h2-10,17H,1H3/b16-10-
InChIKeyHKWNROJGXVLFPI-YBEGLDIGSA-N
MW305.18 g/mol
LogP3.90
Rot. Bonds4

About N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline

N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline (PubChem CID 6073337) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline
PubChem CID6073337
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC NameN-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline
SMILESCOc1ccc(/C=N\Nc2ccccc2)cc1Br
InChIInChI=1S/C14H13BrN2O/c1-18-14-8-7-11(9-13(14)15)10-16-17-12-5-3-2-4-6-12/h2-10,17H,1H3/b16-10-
InChIKeyHKWNROJGXVLFPI-YBEGLDIGSA-N
XLogP3.90
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.90
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'}

Analyze N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-nitroaniline
CID 9077620
N-[[3-(aminomethyl)-4-methoxyphenyl]methylideneamino]aniline
CID 169383589
2-bromo-4-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 135683062
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline
CID 110337885
2-methoxy-5-[(phenylhydrazinylidene)methyl]benzenesulfonic acid
CID 169381664
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-nitroaniline
CID 9059222
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245582
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147432
2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetonitrile
CID 6054346
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 6410123
4-bromo-2-methoxy-5-[(phenylhydrazinylidene)methyl]phenol
CID 169381526
N-[(3-bromo-2-chloro-6-methoxyphenyl)methylideneamino]aniline
CID 169384145

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline?
The IUPAC name of N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline (CID 6073337) is N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline is COc1ccc(/C=N\Nc2ccccc2)cc1Br.
What is the InChIKey of N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline?
The InChIKey is HKWNROJGXVLFPI-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-18-14-8-7-11(9-13(14)15)10-16-17-12-5-3-2-4-6-12/h2-10,17H,1H3/b16-10-.
What are the key properties of N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline?
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline has a molecular weight of 305.18 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 6073337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).