N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethylaniline

C16H17BrN2O — CID 110504942

IUPACN-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethylaniline
SMILESCOc1ccc(Br)cc1/C=N/Nc1ccc(C)c(C)c1
InChIInChI=1S/C16H17BrN2O/c1-11-4-6-15(8-12(11)2)19-18-10-13-9-14(17)5-7-16(13)20-3/h4-10,19H,1-3H3/b18-10+
InChIKeyRNRNRUGDAAGTKU-VCHYOVAHSA-N
MW333.23 g/mol
LogP4.52
Rot. Bonds4

About N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethylaniline

N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethylaniline (PubChem CID 110504942) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethylaniline
PubChem CID110504942
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethylaniline
SMILESCOc1ccc(Br)cc1/C=N/Nc1ccc(C)c(C)c1
InChIInChI=1S/C16H17BrN2O/c1-11-4-6-15(8-12(11)2)19-18-10-13-9-14(17)5-7-16(13)20-3/h4-10,19H,1-3H3/b18-10+
InChIKeyRNRNRUGDAAGTKU-VCHYOVAHSA-N
XLogP4.52
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 ≤ 54.52
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-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline
CID 110841024
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 110531466
2,4-dibromo-6-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]phenol
CID 136704721
3-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine;hydrochloride
CID 18529432
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dimethylaniline
CID 110505059
1-[(5-bromo-2-methoxyphenyl)methylideneamino]-3-phenylthiourea
CID 5150962
N'-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 3863592
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 2344852
N'-[(5-bromo-2-ethoxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)propanediamide
CID 3969618
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine
CID 6789971
5-N-[(5-bromo-2-methoxyphenyl)methylideneamino]-6-N-(3-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 85032938
tert-butyl N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]carbamate
CID 6909993

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethylaniline?
The IUPAC name of N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethylaniline (CID 110504942) is N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethylaniline.
What is the SMILES notation for N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethylaniline?
The canonical SMILES for N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethylaniline is COc1ccc(Br)cc1/C=N/Nc1ccc(C)c(C)c1.
What is the InChIKey of N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethylaniline?
The InChIKey is RNRNRUGDAAGTKU-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11-4-6-15(8-12(11)2)19-18-10-13-9-14(17)5-7-16(13)20-3/h4-10,19H,1-3H3/b18-10+.
What are the key properties of N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethylaniline?
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethylaniline has a molecular weight of 333.23 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethylaniline is sourced from PubChem (CID 110504942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).