2-bromo-4-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline

C17H20BrN3O — CID 29147760

IUPAC2-bromo-4-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline
SMILESCOc1ccccc1CN/N=C\c1ccc(N(C)C)c(Br)c1
InChIInChI=1S/C17H20BrN3O/c1-21(2)16-9-8-13(10-15(16)18)11-19-20-12-14-6-4-5-7-17(14)22-3/h4-11,20H,12H2,1-3H3/b19-11-
InChIKeyRLCJRGVXNNJZSL-ODLFYWEKSA-N
MW362.27 g/mol
LogP3.65
Rot. Bonds6

About 2-bromo-4-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline

2-bromo-4-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline (PubChem CID 29147760) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is 2-bromo-4-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-bromo-4-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline
PubChem CID29147760
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC Name2-bromo-4-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline
SMILESCOc1ccccc1CN/N=C\c1ccc(N(C)C)c(Br)c1
InChIInChI=1S/C17H20BrN3O/c1-21(2)16-9-8-13(10-15(16)18)11-19-20-12-14-6-4-5-7-17(14)22-3/h4-11,20H,12H2,1-3H3/b19-11-
InChIKeyRLCJRGVXNNJZSL-ODLFYWEKSA-N
XLogP3.65
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.65
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-[(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
N-[(E)-(3-bromophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245736
2-bromo-4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline
CID 19060061
N-[(Z)-(4-fluorophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147731
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147564
2-[[2-bromo-4-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 29147479
N-[(Z)-(3-chlorophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147718
N-[(E)-[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245610
N-[(E)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245640
N-[(Z)-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147588
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19059893

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline?
The IUPAC name of 2-bromo-4-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline (CID 29147760) is 2-bromo-4-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-bromo-4-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline?
The canonical SMILES for 2-bromo-4-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline is COc1ccccc1CN/N=C\c1ccc(N(C)C)c(Br)c1.
What is the InChIKey of 2-bromo-4-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline?
The InChIKey is RLCJRGVXNNJZSL-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-21(2)16-9-8-13(10-15(16)18)11-19-20-12-14-6-4-5-7-17(14)22-3/h4-11,20H,12H2,1-3H3/b19-11-.
What are the key properties of 2-bromo-4-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline?
2-bromo-4-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline has a molecular weight of 362.27 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 29147760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).