3-[(3-bromo-2-hydroxyphenyl)methylamino]-2,6-dimethylphenol

C15H16BrNO2 — CID 61391803

IUPAC3-[(3-bromo-2-hydroxyphenyl)methylamino]-2,6-dimethylphenol
SMILESCc1ccc(NCc2cccc(Br)c2O)c(C)c1O
InChIInChI=1S/C15H16BrNO2/c1-9-6-7-13(10(2)14(9)18)17-8-11-4-3-5-12(16)15(11)19/h3-7,17-19H,8H2,1-2H3
InChIKeyDWEQBFBWVLIILH-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.09
Rot. Bonds3

About 3-[(3-bromo-2-hydroxyphenyl)methylamino]-2,6-dimethylphenol

3-[(3-bromo-2-hydroxyphenyl)methylamino]-2,6-dimethylphenol (PubChem CID 61391803) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 3-[(3-bromo-2-hydroxyphenyl)methylamino]-2,6-dimethylphenol.

Molecular Properties

Compound Name3-[(3-bromo-2-hydroxyphenyl)methylamino]-2,6-dimethylphenol
PubChem CID61391803
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name3-[(3-bromo-2-hydroxyphenyl)methylamino]-2,6-dimethylphenol
SMILESCc1ccc(NCc2cccc(Br)c2O)c(C)c1O
InChIInChI=1S/C15H16BrNO2/c1-9-6-7-13(10(2)14(9)18)17-8-11-4-3-5-12(16)15(11)19/h3-7,17-19H,8H2,1-2H3
InChIKeyDWEQBFBWVLIILH-UHFFFAOYSA-N
XLogP4.09
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-hydroxyphenyl)methylamino]-2,6-dimethylphenol
CID 43741748
2-bromo-6-[(4-bromo-2-methylanilino)methyl]phenol
CID 61390276
2-bromo-6-[(2,5-dimethylanilino)methyl]phenol
CID 61390137
2-bromo-6-[(3-iodo-2-methylanilino)methyl]phenol
CID 114256858
2-bromo-6-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]phenol
CID 104599949
3-[(2-ethylphenyl)methylamino]-2,6-dimethylphenol
CID 62392114
2-bromo-6-[(3-bromo-4-methylanilino)methyl]phenol
CID 63333631
3-[(3-bromo-2-hydroxyphenyl)methylamino]-4-methylbenzoic acid
CID 61391463
methyl 3-[(3-bromo-2-hydroxyphenyl)methylamino]-2-methylbenzoate
CID 61390835
2-[(3-bromo-2-methylanilino)methyl]-6-ethoxyphenol
CID 103818301
2-bromo-6-[(2-fluoro-5-methylanilino)methyl]phenol
CID 61390509
3-[(2,6-difluorophenyl)methylamino]-2,6-dimethylphenol
CID 43741707

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-2-hydroxyphenyl)methylamino]-2,6-dimethylphenol?
The IUPAC name of 3-[(3-bromo-2-hydroxyphenyl)methylamino]-2,6-dimethylphenol (CID 61391803) is 3-[(3-bromo-2-hydroxyphenyl)methylamino]-2,6-dimethylphenol.
What is the SMILES notation for 3-[(3-bromo-2-hydroxyphenyl)methylamino]-2,6-dimethylphenol?
The canonical SMILES for 3-[(3-bromo-2-hydroxyphenyl)methylamino]-2,6-dimethylphenol is Cc1ccc(NCc2cccc(Br)c2O)c(C)c1O.
What is the InChIKey of 3-[(3-bromo-2-hydroxyphenyl)methylamino]-2,6-dimethylphenol?
The InChIKey is DWEQBFBWVLIILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-9-6-7-13(10(2)14(9)18)17-8-11-4-3-5-12(16)15(11)19/h3-7,17-19H,8H2,1-2H3.
What are the key properties of 3-[(3-bromo-2-hydroxyphenyl)methylamino]-2,6-dimethylphenol?
3-[(3-bromo-2-hydroxyphenyl)methylamino]-2,6-dimethylphenol has a molecular weight of 322.20 g/mol, XLogP of 4.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-2-hydroxyphenyl)methylamino]-2,6-dimethylphenol is sourced from PubChem (CID 61391803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).