2-(4-bromo-3-methoxyphenyl)ethanimine

C9H10BrNO — CID 123266236

IUPAC2-(4-bromo-3-methoxyphenyl)ethanimine
SMILES[H]/N=C/Cc1ccc(Br)c(OC)c1
InChIInChI=1S/C9H10BrNO/c1-12-9-6-7(4-5-11)2-3-8(9)10/h2-3,5-6,11H,4H2,1H3/b11-5+
InChIKeyQLLLRMPPWFOEIW-VZUCSPMQSA-N
MW228.09 g/mol
LogP2.65
Rot. Bonds3

About 2-(4-bromo-3-methoxyphenyl)ethanimine

2-(4-bromo-3-methoxyphenyl)ethanimine (PubChem CID 123266236) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 2-(4-bromo-3-methoxyphenyl)ethanimine.

Molecular Properties

Compound Name2-(4-bromo-3-methoxyphenyl)ethanimine
PubChem CID123266236
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name2-(4-bromo-3-methoxyphenyl)ethanimine
SMILES[H]/N=C/Cc1ccc(Br)c(OC)c1
InChIInChI=1S/C9H10BrNO/c1-12-9-6-7(4-5-11)2-3-8(9)10/h2-3,5-6,11H,4H2,1H3/b11-5+
InChIKeyQLLLRMPPWFOEIW-VZUCSPMQSA-N
XLogP2.65
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-methoxy-4-prop-2-enylbenzene
CID 70188146
1-bromo-4-but-3-enyl-2-methoxybenzene
CID 175669569
N-[2-(4-bromo-3-methoxyphenyl)ethyl]formamide
CID 87434130
N-[(4-bromo-3-methoxyphenyl)methyl]cyclobutanamine
CID 117219999
4-(benzenesulfonylmethyl)-1-bromo-2-methoxybenzene
CID 141296183
1-[4-(2-bromophenoxy)butoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2899492
(2-methoxy-4-prop-2-enylphenoxy)phosphane
CID 155424724
4-bromo-3-methoxyaniline;iron
CID 158491783
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
4-bromo-N-[(3,5-dimethoxyphenyl)methyl]-3-methoxyaniline
CID 79480562
2-[4-[(4-bromo-3-methoxyphenoxy)methyl]phenyl]acetic acid
CID 20986298
3-(4-bromo-3-methoxyphenyl)prop-2-ene-1-thiol
CID 169456250

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methoxyphenyl)ethanimine?
The IUPAC name of 2-(4-bromo-3-methoxyphenyl)ethanimine (CID 123266236) is 2-(4-bromo-3-methoxyphenyl)ethanimine.
What is the SMILES notation for 2-(4-bromo-3-methoxyphenyl)ethanimine?
The canonical SMILES for 2-(4-bromo-3-methoxyphenyl)ethanimine is [H]/N=C/Cc1ccc(Br)c(OC)c1.
What is the InChIKey of 2-(4-bromo-3-methoxyphenyl)ethanimine?
The InChIKey is QLLLRMPPWFOEIW-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-12-9-6-7(4-5-11)2-3-8(9)10/h2-3,5-6,11H,4H2,1H3/b11-5+.
What are the key properties of 2-(4-bromo-3-methoxyphenyl)ethanimine?
2-(4-bromo-3-methoxyphenyl)ethanimine has a molecular weight of 228.09 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methoxyphenyl)ethanimine is sourced from PubChem (CID 123266236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).