2,4-dibromo-N-(2-bromoprop-2-enyl)-5-methoxyaniline

C10H10Br3NO — CID 103413053

IUPAC2,4-dibromo-N-(2-bromoprop-2-enyl)-5-methoxyaniline
SMILESC=C(Br)CNc1cc(OC)c(Br)cc1Br
InChIInChI=1S/C10H10Br3NO/c1-6(11)5-14-9-4-10(15-2)8(13)3-7(9)12/h3-4,14H,1,5H2,2H3
InChIKeyWTIBIRBDGBEQSJ-UHFFFAOYSA-N
MW399.91 g/mol
LogP4.54
Rot. Bonds4

About 2,4-dibromo-N-(2-bromoprop-2-enyl)-5-methoxyaniline

2,4-dibromo-N-(2-bromoprop-2-enyl)-5-methoxyaniline (PubChem CID 103413053) has the molecular formula C10H10Br3NO and a molecular weight of 399.91 g/mol. Its IUPAC name is 2,4-dibromo-N-(2-bromoprop-2-enyl)-5-methoxyaniline.

Molecular Properties

Compound Name2,4-dibromo-N-(2-bromoprop-2-enyl)-5-methoxyaniline
PubChem CID103413053
Molecular FormulaC10H10Br3NO
Molecular Weight399.91 g/mol
Exact Mass396.83
IUPAC Name2,4-dibromo-N-(2-bromoprop-2-enyl)-5-methoxyaniline
SMILESC=C(Br)CNc1cc(OC)c(Br)cc1Br
InChIInChI=1S/C10H10Br3NO/c1-6(11)5-14-9-4-10(15-2)8(13)3-7(9)12/h3-4,14H,1,5H2,2H3
InChIKeyWTIBIRBDGBEQSJ-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.91
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-carbamoyl-2-(2,4-dibromo-5-methoxyanilino)acetamide
CID 103412671
2-(2,4-dibromo-5-methoxyanilino)-N-(3-methoxypropyl)acetamide
CID 103412672
N'-(2,4-dibromo-5-methoxyphenyl)propane-1,3-diamine
CID 103411364
3-(2,4-dibromo-5-methoxyanilino)-2-methylpropanoic acid
CID 103412855
2,4-dibromo-N-hexyl-5-methoxyaniline
CID 103411588
3-(2,4-dibromo-5-methoxyanilino)propanenitrile
CID 103412664
2,4-dibromo-N-(cyclopentylmethyl)-5-methoxyaniline
CID 103412121
2-[(2,4-dibromo-5-methoxyanilino)methyl]-2-ethylbutan-1-ol
CID 103412147
3-(2,4-dibromo-5-methoxyanilino)-N-ethylpropanamide
CID 103412756
2,4-dibromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-5-methoxyaniline
CID 103411374
4-chloro-2-[(2,4-dibromo-5-methoxyanilino)methyl]phenol
CID 103411754
4-bromo-N-ethyl-2,5-dimethoxyaniline
CID 21117288

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2-bromoprop-2-enyl)-5-methoxyaniline?
The IUPAC name of 2,4-dibromo-N-(2-bromoprop-2-enyl)-5-methoxyaniline (CID 103413053) is 2,4-dibromo-N-(2-bromoprop-2-enyl)-5-methoxyaniline.
What is the SMILES notation for 2,4-dibromo-N-(2-bromoprop-2-enyl)-5-methoxyaniline?
The canonical SMILES for 2,4-dibromo-N-(2-bromoprop-2-enyl)-5-methoxyaniline is C=C(Br)CNc1cc(OC)c(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(2-bromoprop-2-enyl)-5-methoxyaniline?
The InChIKey is WTIBIRBDGBEQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br3NO/c1-6(11)5-14-9-4-10(15-2)8(13)3-7(9)12/h3-4,14H,1,5H2,2H3.
What are the key properties of 2,4-dibromo-N-(2-bromoprop-2-enyl)-5-methoxyaniline?
2,4-dibromo-N-(2-bromoprop-2-enyl)-5-methoxyaniline has a molecular weight of 399.91 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(2-bromoprop-2-enyl)-5-methoxyaniline is sourced from PubChem (CID 103413053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).