2-bromo-4-[(4-bromo-2-ethylanilino)methyl]-6-methoxyphenol

C16H17Br2NO2 — CID 81287311

IUPAC2-bromo-4-[(4-bromo-2-ethylanilino)methyl]-6-methoxyphenol
SMILESCCc1cc(Br)ccc1NCc1cc(Br)c(O)c(OC)c1
InChIInChI=1S/C16H17Br2NO2/c1-3-11-8-12(17)4-5-14(11)19-9-10-6-13(18)16(20)15(7-10)21-2/h4-8,19-20H,3,9H2,1-2H3
InChIKeyFTRLQGONMMRZAS-UHFFFAOYSA-N
MW415.13 g/mol
LogP5.10
Rot. Bonds5

About 2-bromo-4-[(4-bromo-2-ethylanilino)methyl]-6-methoxyphenol

2-bromo-4-[(4-bromo-2-ethylanilino)methyl]-6-methoxyphenol (PubChem CID 81287311) has the molecular formula C16H17Br2NO2 and a molecular weight of 415.13 g/mol. Its IUPAC name is 2-bromo-4-[(4-bromo-2-ethylanilino)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-bromo-4-[(4-bromo-2-ethylanilino)methyl]-6-methoxyphenol
PubChem CID81287311
Molecular FormulaC16H17Br2NO2
Molecular Weight415.13 g/mol
Exact Mass412.96
IUPAC Name2-bromo-4-[(4-bromo-2-ethylanilino)methyl]-6-methoxyphenol
SMILESCCc1cc(Br)ccc1NCc1cc(Br)c(O)c(OC)c1
InChIInChI=1S/C16H17Br2NO2/c1-3-11-8-12(17)4-5-14(11)19-9-10-6-13(18)16(20)15(7-10)21-2/h4-8,19-20H,3,9H2,1-2H3
InChIKeyFTRLQGONMMRZAS-UHFFFAOYSA-N
XLogP5.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.13
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-bromo-4-[(4-bromo-2-ethylanilino)methyl]-6-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline
CID 81291722
2-bromo-4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-6-methoxyphenol
CID 103909123
2,4-dibromo-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]aniline
CID 43683217
2-bromo-4-[(4-ethoxyanilino)methyl]-6-methoxyphenol
CID 29041411
4-bromo-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]aniline
CID 81292705
2-bromo-4-[(3-hydroxyanilino)methyl]-6-methoxyphenol
CID 28722263
2-bromo-4-[(3-hydroxy-4-methylanilino)methyl]-6-methoxyphenol
CID 107700951
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-6-methylbenzonitrile
CID 107803630
2,4-dibromo-N-[(3,4-dimethoxyphenyl)methyl]aniline
CID 43683051
2-(3-bromo-4-hydroxy-5-methoxyphenyl)acetate
CID 7016572
4-bromo-1-N-[(3-ethyl-4-methoxyphenyl)methyl]benzene-1,2-diamine
CID 115125451
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-6-fluorobenzonitrile
CID 43580194

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(4-bromo-2-ethylanilino)methyl]-6-methoxyphenol?
The IUPAC name of 2-bromo-4-[(4-bromo-2-ethylanilino)methyl]-6-methoxyphenol (CID 81287311) is 2-bromo-4-[(4-bromo-2-ethylanilino)methyl]-6-methoxyphenol.
What is the SMILES notation for 2-bromo-4-[(4-bromo-2-ethylanilino)methyl]-6-methoxyphenol?
The canonical SMILES for 2-bromo-4-[(4-bromo-2-ethylanilino)methyl]-6-methoxyphenol is CCc1cc(Br)ccc1NCc1cc(Br)c(O)c(OC)c1.
What is the InChIKey of 2-bromo-4-[(4-bromo-2-ethylanilino)methyl]-6-methoxyphenol?
The InChIKey is FTRLQGONMMRZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO2/c1-3-11-8-12(17)4-5-14(11)19-9-10-6-13(18)16(20)15(7-10)21-2/h4-8,19-20H,3,9H2,1-2H3.
What are the key properties of 2-bromo-4-[(4-bromo-2-ethylanilino)methyl]-6-methoxyphenol?
2-bromo-4-[(4-bromo-2-ethylanilino)methyl]-6-methoxyphenol has a molecular weight of 415.13 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(4-bromo-2-ethylanilino)methyl]-6-methoxyphenol is sourced from PubChem (CID 81287311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).