N-(2-bromo-6-ethenyl-4-methoxyphenyl)methanimine

C10H10BrNO — CID 166552684

IUPACN-(2-bromo-6-ethenyl-4-methoxyphenyl)methanimine
SMILESC=Cc1cc(OC)cc(Br)c1N=C
InChIInChI=1S/C10H10BrNO/c1-4-7-5-8(13-3)6-9(11)10(7)12-2/h4-6H,1-2H2,3H3
InChIKeyANHXLIQPSJQBBH-UHFFFAOYSA-N
MW240.10 g/mol
LogP3.43
Rot. Bonds3

About N-(2-bromo-6-ethenyl-4-methoxyphenyl)methanimine

N-(2-bromo-6-ethenyl-4-methoxyphenyl)methanimine (PubChem CID 166552684) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is N-(2-bromo-6-ethenyl-4-methoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(2-bromo-6-ethenyl-4-methoxyphenyl)methanimine
PubChem CID166552684
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC NameN-(2-bromo-6-ethenyl-4-methoxyphenyl)methanimine
SMILESC=Cc1cc(OC)cc(Br)c1N=C
InChIInChI=1S/C10H10BrNO/c1-4-7-5-8(13-3)6-9(11)10(7)12-2/h4-6H,1-2H2,3H3
InChIKeyANHXLIQPSJQBBH-UHFFFAOYSA-N
XLogP3.43
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,2,4-tribromo-5-ethenylbenzene
CID 11013257
2,6-dibromo-4-methoxyaniline
CID 542895
2-bromo-6-ethenyl-4-methylphenol
CID 177021092
2-ethenyl-4-methoxy-1-(trifluoromethyl)benzene
CID 167531102
2-bromo-6-methanimidoyl-4-methoxyaniline
CID 167075235
1-ethenyl-2-fluoro-4-methoxybenzene
CID 119031990
1-(2-bromo-5-methoxyphenyl)prop-2-en-1-one
CID 105110975
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]methanamine
CID 143158579
tert-butyl-(2-ethenyl-4-methoxyphenoxy)-dimethylsilane
CID 10945326
2-bis(ethenyl)phosphoryl-1-bromo-4-methoxybenzene
CID 176916453
(3-bromo-4-ethenylphenyl) acetate
CID 151856352
3-bromo-5-methoxy-1H-pyridin-2-one
CID 74891310

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-ethenyl-4-methoxyphenyl)methanimine?
The IUPAC name of N-(2-bromo-6-ethenyl-4-methoxyphenyl)methanimine (CID 166552684) is N-(2-bromo-6-ethenyl-4-methoxyphenyl)methanimine.
What is the SMILES notation for N-(2-bromo-6-ethenyl-4-methoxyphenyl)methanimine?
The canonical SMILES for N-(2-bromo-6-ethenyl-4-methoxyphenyl)methanimine is C=Cc1cc(OC)cc(Br)c1N=C.
What is the InChIKey of N-(2-bromo-6-ethenyl-4-methoxyphenyl)methanimine?
The InChIKey is ANHXLIQPSJQBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-4-7-5-8(13-3)6-9(11)10(7)12-2/h4-6H,1-2H2,3H3.
What are the key properties of N-(2-bromo-6-ethenyl-4-methoxyphenyl)methanimine?
N-(2-bromo-6-ethenyl-4-methoxyphenyl)methanimine has a molecular weight of 240.10 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-ethenyl-4-methoxyphenyl)methanimine is sourced from PubChem (CID 166552684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).