N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]methanamine

C10H13BrN2O2 — CID 110507338

IUPACN-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]methanamine
SMILESCN/N=C/c1cc(Br)c(OC)c(OC)c1
InChIInChI=1S/C10H13BrN2O2/c1-12-13-6-7-4-8(11)10(15-3)9(5-7)14-2/h4-6,12H,1-3H3/b13-6+
InChIKeyUYEUWXAYYTZYSM-AWNIVKPZSA-N
MW273.13 g/mol
LogP2.02
Rot. Bonds4

About N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]methanamine

N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]methanamine (PubChem CID 110507338) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]methanamine.

Molecular Properties

Compound NameN-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]methanamine
PubChem CID110507338
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC NameN-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]methanamine
SMILESCN/N=C/c1cc(Br)c(OC)c(OC)c1
InChIInChI=1S/C10H13BrN2O2/c1-12-13-6-7-4-8(11)10(15-3)9(5-7)14-2/h4-6,12H,1-3H3/b13-6+
InChIKeyUYEUWXAYYTZYSM-AWNIVKPZSA-N
XLogP2.02
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.02
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-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]methanamine
CID 110340974
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dimethylaniline
CID 110505059
1,2-bis[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]guanidine
CID 161283561
N-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-nitroaniline
CID 124605350
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzenesulfonamide
CID 110516421
1-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-(4-chlorophenyl)urea
CID 110531661
2,6-dibromo-4-[(E)-(methylhydrazinylidene)methyl]phenol
CID 136732876
N-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 1102193
(NZ)-N-[(3-bromo-4,5-dimethoxyphenyl)methylidene]benzenesulfonamide
CID 110518789
N-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 6266969
N'-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)propanediamide
CID 5174740
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126320857

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]methanamine?
The IUPAC name of N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]methanamine (CID 110507338) is N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]methanamine.
What is the SMILES notation for N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]methanamine?
The canonical SMILES for N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]methanamine is CN/N=C/c1cc(Br)c(OC)c(OC)c1.
What is the InChIKey of N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]methanamine?
The InChIKey is UYEUWXAYYTZYSM-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-12-13-6-7-4-8(11)10(15-3)9(5-7)14-2/h4-6,12H,1-3H3/b13-6+.
What are the key properties of N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]methanamine?
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]methanamine has a molecular weight of 273.13 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]methanamine is sourced from PubChem (CID 110507338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).