2-[(2,4-dibromoanilino)methyl]-5-methoxyphenol

C14H13Br2NO2 — CID 61263805

IUPAC2-[(2,4-dibromoanilino)methyl]-5-methoxyphenol
SMILESCOc1ccc(CNc2ccc(Br)cc2Br)c(O)c1
InChIInChI=1S/C14H13Br2NO2/c1-19-11-4-2-9(14(18)7-11)8-17-13-5-3-10(15)6-12(13)16/h2-7,17-18H,8H2,1H3
InChIKeyLTIAKVQLYQAZAK-UHFFFAOYSA-N
MW387.07 g/mol
LogP4.54
Rot. Bonds4

About 2-[(2,4-dibromoanilino)methyl]-5-methoxyphenol

2-[(2,4-dibromoanilino)methyl]-5-methoxyphenol (PubChem CID 61263805) has the molecular formula C14H13Br2NO2 and a molecular weight of 387.07 g/mol. Its IUPAC name is 2-[(2,4-dibromoanilino)methyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[(2,4-dibromoanilino)methyl]-5-methoxyphenol
PubChem CID61263805
Molecular FormulaC14H13Br2NO2
Molecular Weight387.07 g/mol
Exact Mass384.93
IUPAC Name2-[(2,4-dibromoanilino)methyl]-5-methoxyphenol
SMILESCOc1ccc(CNc2ccc(Br)cc2Br)c(O)c1
InChIInChI=1S/C14H13Br2NO2/c1-19-11-4-2-9(14(18)7-11)8-17-13-5-3-10(15)6-12(13)16/h2-7,17-18H,8H2,1H3
InChIKeyLTIAKVQLYQAZAK-UHFFFAOYSA-N
XLogP4.54
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.07
LogP ≤ 54.54
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-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
CID 61268572
5-bromo-2-[(4-methoxyanilino)methyl]phenol
CID 86023506
2-[(3-bromoanilino)methyl]-5-methoxyphenol
CID 61267663
2-[(5-bromo-2-fluoroanilino)methyl]-4-methoxyphenol
CID 43555227
4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2-fluoroaniline
CID 65323673
2-[(3-bromo-4-methylanilino)methyl]-5-methoxyphenol
CID 63333359
2-[(2,5-dimethylanilino)methyl]-5-methoxyphenol
CID 61267847
2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline
CID 43736641
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline
CID 61061133
2-[1-(2,4-dibromoanilino)ethyl]-5-methoxyphenol
CID 43683000
2-[(4-fluoroanilino)methyl]-5-methoxyphenol
CID 61270048
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dibromoanilino)methyl]-5-methoxyphenol?
The IUPAC name of 2-[(2,4-dibromoanilino)methyl]-5-methoxyphenol (CID 61263805) is 2-[(2,4-dibromoanilino)methyl]-5-methoxyphenol.
What is the SMILES notation for 2-[(2,4-dibromoanilino)methyl]-5-methoxyphenol?
The canonical SMILES for 2-[(2,4-dibromoanilino)methyl]-5-methoxyphenol is COc1ccc(CNc2ccc(Br)cc2Br)c(O)c1.
What is the InChIKey of 2-[(2,4-dibromoanilino)methyl]-5-methoxyphenol?
The InChIKey is LTIAKVQLYQAZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO2/c1-19-11-4-2-9(14(18)7-11)8-17-13-5-3-10(15)6-12(13)16/h2-7,17-18H,8H2,1H3.
What are the key properties of 2-[(2,4-dibromoanilino)methyl]-5-methoxyphenol?
2-[(2,4-dibromoanilino)methyl]-5-methoxyphenol has a molecular weight of 387.07 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dibromoanilino)methyl]-5-methoxyphenol is sourced from PubChem (CID 61263805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).