3-[(3-bromo-4-chlorophenyl)methylamino]-2,6-dimethylphenol

C15H15BrClNO — CID 83229907

IUPAC3-[(3-bromo-4-chlorophenyl)methylamino]-2,6-dimethylphenol
SMILESCc1ccc(NCc2ccc(Cl)c(Br)c2)c(C)c1O
InChIInChI=1S/C15H15BrClNO/c1-9-3-6-14(10(2)15(9)19)18-8-11-4-5-13(17)12(16)7-11/h3-7,18-19H,8H2,1-2H3
InChIKeyVFOONEUGQWRKBD-UHFFFAOYSA-N
MW340.65 g/mol
LogP5.04
Rot. Bonds3

About 3-[(3-bromo-4-chlorophenyl)methylamino]-2,6-dimethylphenol

3-[(3-bromo-4-chlorophenyl)methylamino]-2,6-dimethylphenol (PubChem CID 83229907) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 3-[(3-bromo-4-chlorophenyl)methylamino]-2,6-dimethylphenol.

Molecular Properties

Compound Name3-[(3-bromo-4-chlorophenyl)methylamino]-2,6-dimethylphenol
PubChem CID83229907
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name3-[(3-bromo-4-chlorophenyl)methylamino]-2,6-dimethylphenol
SMILESCc1ccc(NCc2ccc(Cl)c(Br)c2)c(C)c1O
InChIInChI=1S/C15H15BrClNO/c1-9-3-6-14(10(2)15(9)19)18-8-11-4-5-13(17)12(16)7-11/h3-7,18-19H,8H2,1-2H3
InChIKeyVFOONEUGQWRKBD-UHFFFAOYSA-N
XLogP5.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.65
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,4-dimethylphenyl)methylamino]-2,6-dimethylphenol
CID 43790197
N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methylaniline
CID 83235718
3-[(3,5-dichlorophenyl)methylamino]-2,6-dimethylphenol
CID 60790057
N-[(3-bromo-4-chlorophenyl)methyl]-4-fluoro-2-methylaniline
CID 83235362
N-[(3-bromo-4-chlorophenyl)methyl]-3-fluoro-2-methylaniline
CID 83229913
N-[(3-bromo-4-chlorophenyl)methyl]-2-methyl-5-methylsulfonylaniline
CID 83232437
3-[(4-ethylphenyl)methylamino]-2,6-dimethylphenol
CID 43741705
2,6-dimethyl-3-[(3-methylphenyl)methylamino]phenol
CID 43741704
N-[(3-bromo-4-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 83235178
N-[(3-bromo-4-chlorophenyl)methyl]-4-chloro-2-fluoroaniline
CID 83236223
3-[(4-bromo-5-methylthiophen-2-yl)methylamino]-2,6-dimethylphenol
CID 102833788
5-[(3-bromo-4-chlorophenyl)methylamino]naphthalen-1-ol
CID 83232776

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-chlorophenyl)methylamino]-2,6-dimethylphenol?
The IUPAC name of 3-[(3-bromo-4-chlorophenyl)methylamino]-2,6-dimethylphenol (CID 83229907) is 3-[(3-bromo-4-chlorophenyl)methylamino]-2,6-dimethylphenol.
What is the SMILES notation for 3-[(3-bromo-4-chlorophenyl)methylamino]-2,6-dimethylphenol?
The canonical SMILES for 3-[(3-bromo-4-chlorophenyl)methylamino]-2,6-dimethylphenol is Cc1ccc(NCc2ccc(Cl)c(Br)c2)c(C)c1O.
What is the InChIKey of 3-[(3-bromo-4-chlorophenyl)methylamino]-2,6-dimethylphenol?
The InChIKey is VFOONEUGQWRKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-9-3-6-14(10(2)15(9)19)18-8-11-4-5-13(17)12(16)7-11/h3-7,18-19H,8H2,1-2H3.
What are the key properties of 3-[(3-bromo-4-chlorophenyl)methylamino]-2,6-dimethylphenol?
3-[(3-bromo-4-chlorophenyl)methylamino]-2,6-dimethylphenol has a molecular weight of 340.65 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-chlorophenyl)methylamino]-2,6-dimethylphenol is sourced from PubChem (CID 83229907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).