2,4-dibromo-6-[[3-(dimethylamino)-4-methylphenyl]iminomethyl]phenol

C16H16Br2N2O — CID 1240034

IUPAC2,4-dibromo-6-[[3-(dimethylamino)-4-methylphenyl]iminomethyl]phenol
SMILESCc1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1N(C)C
InChIInChI=1S/C16H16Br2N2O/c1-10-4-5-13(8-15(10)20(2)3)19-9-11-6-12(17)7-14(18)16(11)21/h4-9,21H,1-3H3/b19-9+
InChIKeyPHVSGIVQLBCKQW-DJKKODMXSA-N
MW412.13 g/mol
LogP5.04
Rot. Bonds3

About 2,4-dibromo-6-[[3-(dimethylamino)-4-methylphenyl]iminomethyl]phenol

2,4-dibromo-6-[[3-(dimethylamino)-4-methylphenyl]iminomethyl]phenol (PubChem CID 1240034) has the molecular formula C16H16Br2N2O and a molecular weight of 412.13 g/mol. Its IUPAC name is 2,4-dibromo-6-[[3-(dimethylamino)-4-methylphenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[[3-(dimethylamino)-4-methylphenyl]iminomethyl]phenol
PubChem CID1240034
Molecular FormulaC16H16Br2N2O
Molecular Weight412.13 g/mol
Exact Mass409.96
IUPAC Name2,4-dibromo-6-[[3-(dimethylamino)-4-methylphenyl]iminomethyl]phenol
SMILESCc1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1N(C)C
InChIInChI=1S/C16H16Br2N2O/c1-10-4-5-13(8-15(10)20(2)3)19-9-11-6-12(17)7-14(18)16(11)21/h4-9,21H,1-3H3/b19-9+
InChIKeyPHVSGIVQLBCKQW-DJKKODMXSA-N
XLogP5.04
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.13
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol
CID 1286585
2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol
CID 135501673
2,4-dibromo-6-[[4-[2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]propan-2-yl]phenyl]iminomethyl]phenol
CID 4996119
4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3,5-dimethylphenol
CID 135689605
2,4-dibromo-6-[[4-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol
CID 4655751
4-bromo-2-[(3-chloro-4-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135592590
ethyl 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzoate
CID 1286584
2,4-dibromo-6-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]phenol
CID 136704721
2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135459439
2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenol
CID 137138656
2-bromo-6-[(2,5-dimethylphenyl)iminomethyl]-4-methylphenol
CID 3639370
N-(3-chloro-4-methylphenyl)-1-(3,5-dibromo-2-methoxyphenyl)methanimine
CID 126207516

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[[3-(dimethylamino)-4-methylphenyl]iminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[[3-(dimethylamino)-4-methylphenyl]iminomethyl]phenol (CID 1240034) is 2,4-dibromo-6-[[3-(dimethylamino)-4-methylphenyl]iminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[[3-(dimethylamino)-4-methylphenyl]iminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[[3-(dimethylamino)-4-methylphenyl]iminomethyl]phenol is Cc1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1N(C)C.
What is the InChIKey of 2,4-dibromo-6-[[3-(dimethylamino)-4-methylphenyl]iminomethyl]phenol?
The InChIKey is PHVSGIVQLBCKQW-DJKKODMXSA-N. The full InChI is InChI=1S/C16H16Br2N2O/c1-10-4-5-13(8-15(10)20(2)3)19-9-11-6-12(17)7-14(18)16(11)21/h4-9,21H,1-3H3/b19-9+.
What are the key properties of 2,4-dibromo-6-[[3-(dimethylamino)-4-methylphenyl]iminomethyl]phenol?
2,4-dibromo-6-[[3-(dimethylamino)-4-methylphenyl]iminomethyl]phenol has a molecular weight of 412.13 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[[3-(dimethylamino)-4-methylphenyl]iminomethyl]phenol is sourced from PubChem (CID 1240034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).