4-(2,5-dibromo-4-methoxyphenoxy)-N,N-dimethylaniline

C15H15Br2NO2 — CID 59165138

IUPAC4-(2,5-dibromo-4-methoxyphenoxy)-N,N-dimethylaniline
SMILESCOc1cc(Br)c(Oc2ccc(N(C)C)cc2)cc1Br
InChIInChI=1S/C15H15Br2NO2/c1-18(2)10-4-6-11(7-5-10)20-15-9-12(16)14(19-3)8-13(15)17/h4-9H,1-3H3
InChIKeySMKJHSKHAGEOHP-UHFFFAOYSA-N
MW401.10 g/mol
LogP5.08
Rot. Bonds4

About 4-(2,5-dibromo-4-methoxyphenoxy)-N,N-dimethylaniline

4-(2,5-dibromo-4-methoxyphenoxy)-N,N-dimethylaniline (PubChem CID 59165138) has the molecular formula C15H15Br2NO2 and a molecular weight of 401.10 g/mol. Its IUPAC name is 4-(2,5-dibromo-4-methoxyphenoxy)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(2,5-dibromo-4-methoxyphenoxy)-N,N-dimethylaniline
PubChem CID59165138
Molecular FormulaC15H15Br2NO2
Molecular Weight401.10 g/mol
Exact Mass398.95
IUPAC Name4-(2,5-dibromo-4-methoxyphenoxy)-N,N-dimethylaniline
SMILESCOc1cc(Br)c(Oc2ccc(N(C)C)cc2)cc1Br
InChIInChI=1S/C15H15Br2NO2/c1-18(2)10-4-6-11(7-5-10)20-15-9-12(16)14(19-3)8-13(15)17/h4-9H,1-3H3
InChIKeySMKJHSKHAGEOHP-UHFFFAOYSA-N
XLogP5.08
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.10
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,5-dibromo-4-methoxyphenoxy)phenyl]methanol
CID 79403220
4-(4-methoxyphenoxy)-N,N,3-trimethylaniline
CID 156755643
4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-N,N-dimethylaniline
CID 23539019
4-[4-(dimethylamino)phenoxy]-3-iodo-N,N-dimethylaniline
CID 71329975
1-[2-amino-5-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanone
CID 104613341
2,5-dibromo-4,7-dimethoxycyclohepta-2,4,6-trien-1-one
CID 14266950
4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118
3-(2,5-dibromo-4-methoxyphenoxy)-5-methylaniline
CID 112648518
2-bromo-N-[4-(dimethylamino)phenyl]-4,5-dimethoxybenzenesulfonamide
CID 78809657
2-(3-bromo-4-methoxyphenyl)-1-[4-(dimethylamino)phenyl]ethanol
CID 63895968
1-[3-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanone
CID 79403294
3-(2,5-dibromo-4-methoxyphenoxy)-5-fluoroaniline
CID 80752207

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dibromo-4-methoxyphenoxy)-N,N-dimethylaniline?
The IUPAC name of 4-(2,5-dibromo-4-methoxyphenoxy)-N,N-dimethylaniline (CID 59165138) is 4-(2,5-dibromo-4-methoxyphenoxy)-N,N-dimethylaniline.
What is the SMILES notation for 4-(2,5-dibromo-4-methoxyphenoxy)-N,N-dimethylaniline?
The canonical SMILES for 4-(2,5-dibromo-4-methoxyphenoxy)-N,N-dimethylaniline is COc1cc(Br)c(Oc2ccc(N(C)C)cc2)cc1Br.
What is the InChIKey of 4-(2,5-dibromo-4-methoxyphenoxy)-N,N-dimethylaniline?
The InChIKey is SMKJHSKHAGEOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO2/c1-18(2)10-4-6-11(7-5-10)20-15-9-12(16)14(19-3)8-13(15)17/h4-9H,1-3H3.
What are the key properties of 4-(2,5-dibromo-4-methoxyphenoxy)-N,N-dimethylaniline?
4-(2,5-dibromo-4-methoxyphenoxy)-N,N-dimethylaniline has a molecular weight of 401.10 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dibromo-4-methoxyphenoxy)-N,N-dimethylaniline is sourced from PubChem (CID 59165138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).