2-(2,2-dibromoethenyl)-5-methoxyaniline

C9H9Br2NO — CID 164872734

IUPAC2-(2,2-dibromoethenyl)-5-methoxyaniline
SMILESCOc1ccc(C=C(Br)Br)c(N)c1
InChIInChI=1S/C9H9Br2NO/c1-13-7-3-2-6(4-9(10)11)8(12)5-7/h2-5H,12H2,1H3
InChIKeyVMKHJWRKVHFXRU-UHFFFAOYSA-N
MW306.99 g/mol
LogP3.37
Rot. Bonds2

About 2-(2,2-dibromoethenyl)-5-methoxyaniline

2-(2,2-dibromoethenyl)-5-methoxyaniline (PubChem CID 164872734) has the molecular formula C9H9Br2NO and a molecular weight of 306.99 g/mol. Its IUPAC name is 2-(2,2-dibromoethenyl)-5-methoxyaniline.

Molecular Properties

Compound Name2-(2,2-dibromoethenyl)-5-methoxyaniline
PubChem CID164872734
Molecular FormulaC9H9Br2NO
Molecular Weight306.99 g/mol
Exact Mass304.91
IUPAC Name2-(2,2-dibromoethenyl)-5-methoxyaniline
SMILESCOc1ccc(C=C(Br)Br)c(N)c1
InChIInChI=1S/C9H9Br2NO/c1-13-7-3-2-6(4-9(10)11)8(12)5-7/h2-5H,12H2,1H3
InChIKeyVMKHJWRKVHFXRU-UHFFFAOYSA-N
XLogP3.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.99
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(2-amino-4-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 146079155
2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-5-methoxyaniline
CID 69247793
(E)-3-(2-amino-4-methoxyphenyl)-1-imidazol-1-yl-2-methylprop-2-en-1-one
CID 130281378
2-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]-5-methoxyaniline
CID 170806434
1-(2,2-dibromoethenyl)-4-methoxybenzene
CID 10859278
[5-[2-(2-amino-4-methoxyphenyl)ethenyl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol
CID 123340958
(E)-2-bromo-3-(2,4-dimethoxyphenyl)prop-2-enal
CID 143192374
2-iodo-5-methoxyaniline
CID 11139508
tert-butyl N-[4-(2-amino-4-methoxyphenyl)but-3-enyl]carbamate
CID 170490551
N-[3-(2-amino-4-methoxyphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide
CID 170808063
2-[(Z)-1-aminoprop-1-en-2-yl]-5-methoxyaniline;ethane
CID 163274592
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dibromoethenyl)-5-methoxyaniline?
The IUPAC name of 2-(2,2-dibromoethenyl)-5-methoxyaniline (CID 164872734) is 2-(2,2-dibromoethenyl)-5-methoxyaniline.
What is the SMILES notation for 2-(2,2-dibromoethenyl)-5-methoxyaniline?
The canonical SMILES for 2-(2,2-dibromoethenyl)-5-methoxyaniline is COc1ccc(C=C(Br)Br)c(N)c1.
What is the InChIKey of 2-(2,2-dibromoethenyl)-5-methoxyaniline?
The InChIKey is VMKHJWRKVHFXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2NO/c1-13-7-3-2-6(4-9(10)11)8(12)5-7/h2-5H,12H2,1H3.
What are the key properties of 2-(2,2-dibromoethenyl)-5-methoxyaniline?
2-(2,2-dibromoethenyl)-5-methoxyaniline has a molecular weight of 306.99 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dibromoethenyl)-5-methoxyaniline is sourced from PubChem (CID 164872734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).