2-[(2,6-dibromoanilino)methyl]-6-ethoxyphenol

C15H15Br2NO2 — CID 107597220

IUPAC2-[(2,6-dibromoanilino)methyl]-6-ethoxyphenol
SMILESCCOc1cccc(CNc2c(Br)cccc2Br)c1O
InChIInChI=1S/C15H15Br2NO2/c1-2-20-13-8-3-5-10(15(13)19)9-18-14-11(16)6-4-7-12(14)17/h3-8,18-19H,2,9H2,1H3
InChIKeyVNNXHLDAICBDOC-UHFFFAOYSA-N
MW401.10 g/mol
LogP4.93
Rot. Bonds5

About 2-[(2,6-dibromoanilino)methyl]-6-ethoxyphenol

2-[(2,6-dibromoanilino)methyl]-6-ethoxyphenol (PubChem CID 107597220) has the molecular formula C15H15Br2NO2 and a molecular weight of 401.10 g/mol. Its IUPAC name is 2-[(2,6-dibromoanilino)methyl]-6-ethoxyphenol.

Molecular Properties

Compound Name2-[(2,6-dibromoanilino)methyl]-6-ethoxyphenol
PubChem CID107597220
Molecular FormulaC15H15Br2NO2
Molecular Weight401.10 g/mol
Exact Mass398.95
IUPAC Name2-[(2,6-dibromoanilino)methyl]-6-ethoxyphenol
SMILESCCOc1cccc(CNc2c(Br)cccc2Br)c1O
InChIInChI=1S/C15H15Br2NO2/c1-2-20-13-8-3-5-10(15(13)19)9-18-14-11(16)6-4-7-12(14)17/h3-8,18-19H,2,9H2,1H3
InChIKeyVNNXHLDAICBDOC-UHFFFAOYSA-N
XLogP4.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.10
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(3-bromo-2-methylanilino)methyl]-6-ethoxyphenol
CID 103818301
2-[(4-bromo-2,6-dimethylanilino)methyl]-6-ethoxyphenol
CID 60944433
2-[(3-bromo-5-methylanilino)methyl]-6-ethoxyphenol
CID 104938251
2-bromo-N-[(2-ethoxyphenyl)methyl]-6-fluoroaniline
CID 107598496
2-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]-6-ethoxyphenol
CID 81378526
2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-6-ethoxyphenol
CID 43547329
2-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-6-ethoxyphenol
CID 61016649
2-ethoxy-6-[(3-iodoanilino)methyl]phenol
CID 28977257
2-ethoxy-6-[(3-ethylpentan-3-ylamino)methyl]phenol
CID 65039266
2-[(3,3-dimethylbutylamino)methyl]-6-ethoxyphenol
CID 115603081
2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethanesulfonamide
CID 43551896
2-[[2-(dimethylamino)anilino]methyl]-6-ethoxyphenol
CID 43726584

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dibromoanilino)methyl]-6-ethoxyphenol?
The IUPAC name of 2-[(2,6-dibromoanilino)methyl]-6-ethoxyphenol (CID 107597220) is 2-[(2,6-dibromoanilino)methyl]-6-ethoxyphenol.
What is the SMILES notation for 2-[(2,6-dibromoanilino)methyl]-6-ethoxyphenol?
The canonical SMILES for 2-[(2,6-dibromoanilino)methyl]-6-ethoxyphenol is CCOc1cccc(CNc2c(Br)cccc2Br)c1O.
What is the InChIKey of 2-[(2,6-dibromoanilino)methyl]-6-ethoxyphenol?
The InChIKey is VNNXHLDAICBDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO2/c1-2-20-13-8-3-5-10(15(13)19)9-18-14-11(16)6-4-7-12(14)17/h3-8,18-19H,2,9H2,1H3.
What are the key properties of 2-[(2,6-dibromoanilino)methyl]-6-ethoxyphenol?
2-[(2,6-dibromoanilino)methyl]-6-ethoxyphenol has a molecular weight of 401.10 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dibromoanilino)methyl]-6-ethoxyphenol is sourced from PubChem (CID 107597220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).