(E)-1,2-bis(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylethenamine

C20H23Br2NO4 — CID 10696748

IUPAC(E)-1,2-bis(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylethenamine
SMILESCOc1cc(Br)c(/C=C(\c2cc(OC)c(OC)cc2Br)N(C)C)cc1OC
InChIInChI=1S/C20H23Br2NO4/c1-23(2)16(13-9-18(25-4)20(27-6)11-15(13)22)7-12-8-17(24-3)19(26-5)10-14(12)21/h7-11H,1-6H3/b16-7+
InChIKeyWLVNQONTBDDEMC-FRKPEAEDSA-N
MW501.22 g/mol
LogP5.31
Rot. Bonds7

About (E)-1,2-bis(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylethenamine

(E)-1,2-bis(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylethenamine (PubChem CID 10696748) has the molecular formula C20H23Br2NO4 and a molecular weight of 501.22 g/mol. Its IUPAC name is (E)-1,2-bis(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylethenamine.

Molecular Properties

Compound Name(E)-1,2-bis(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylethenamine
PubChem CID10696748
Molecular FormulaC20H23Br2NO4
Molecular Weight501.22 g/mol
Exact Mass499.00
IUPAC Name(E)-1,2-bis(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylethenamine
SMILESCOc1cc(Br)c(/C=C(\c2cc(OC)c(OC)cc2Br)N(C)C)cc1OC
InChIInChI=1S/C20H23Br2NO4/c1-23(2)16(13-9-18(25-4)20(27-6)11-15(13)22)7-12-8-17(24-3)19(26-5)10-14(12)21/h7-11H,1-6H3/b16-7+
InChIKeyWLVNQONTBDDEMC-FRKPEAEDSA-N
XLogP5.31
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.22
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-(2-bromo-4,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-methylethenamine
CID 11813061
(E)-1,3-bis(2-bromo-4,5-dimethoxyphenyl)prop-2-en-1-one
CID 6000582
2-bromo-N,4,5-trimethoxy-N-methylbenzamide
CID 90127344
1-bromo-4,5-dimethoxy-2-[(E)-2-nitroprop-1-enyl]benzene
CID 6150063
2-bromo-4,5-dimethoxybenzenecarbothioamide
CID 60925363
3-(2-bromo-4,5-dimethoxyphenyl)-2-phenylprop-2-enenitrile
CID 2865718
1-bromo-2-[(E)-2-(2-iodo-4,5-dimethoxyphenyl)ethenyl]-4,5-dimethoxybenzene
CID 102181393
(E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid
CID 735828
methyl 2-[1-(2-bromo-4,5-dimethoxyphenyl)-3-methoxy-3-oxoprop-1-en-2-yl]benzoate
CID 67756121
(E)-4-(2-bromo-4,5-dimethoxyphenyl)-4-oxobut-2-enoic acid
CID 64717125
(E)-3-(2-bromo-4,5-dimethoxyphenyl)but-2-enoic acid
CID 83959400
(E)-2-(6-bromo-1,3-benzodioxol-5-yl)-1-(2-bromophenyl)-N,N-dimethylethenamine
CID 10598453

Frequently Asked Questions

What is the IUPAC name of (E)-1,2-bis(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylethenamine?
The IUPAC name of (E)-1,2-bis(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylethenamine (CID 10696748) is (E)-1,2-bis(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylethenamine.
What is the SMILES notation for (E)-1,2-bis(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylethenamine?
The canonical SMILES for (E)-1,2-bis(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylethenamine is COc1cc(Br)c(/C=C(\c2cc(OC)c(OC)cc2Br)N(C)C)cc1OC.
What is the InChIKey of (E)-1,2-bis(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylethenamine?
The InChIKey is WLVNQONTBDDEMC-FRKPEAEDSA-N. The full InChI is InChI=1S/C20H23Br2NO4/c1-23(2)16(13-9-18(25-4)20(27-6)11-15(13)22)7-12-8-17(24-3)19(26-5)10-14(12)21/h7-11H,1-6H3/b16-7+.
What are the key properties of (E)-1,2-bis(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylethenamine?
(E)-1,2-bis(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylethenamine has a molecular weight of 501.22 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2-bis(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylethenamine is sourced from PubChem (CID 10696748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).