2-[(2-bromophenyl)methylamino]-4,6-dimethylphenol

C15H16BrNO — CID 135038178

IUPAC2-[(2-bromophenyl)methylamino]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(NCc2ccccc2Br)c1
InChIInChI=1S/C15H16BrNO/c1-10-7-11(2)15(18)14(8-10)17-9-12-5-3-4-6-13(12)16/h3-8,17-18H,9H2,1-2H3
InChIKeyMBTSBKAAEJMBRZ-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.38
Rot. Bonds3

About 2-[(2-bromophenyl)methylamino]-4,6-dimethylphenol

2-[(2-bromophenyl)methylamino]-4,6-dimethylphenol (PubChem CID 135038178) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methylamino]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[(2-bromophenyl)methylamino]-4,6-dimethylphenol
PubChem CID135038178
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name2-[(2-bromophenyl)methylamino]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(NCc2ccccc2Br)c1
InChIInChI=1S/C15H16BrNO/c1-10-7-11(2)15(18)14(8-10)17-9-12-5-3-4-6-13(12)16/h3-8,17-18H,9H2,1-2H3
InChIKeyMBTSBKAAEJMBRZ-UHFFFAOYSA-N
XLogP4.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-[(2,5-dimethylanilino)methyl]phenol
CID 61390137
N-[(2-bromophenyl)methyl]-4-methylthiophen-3-amine
CID 115751803
2-bromo-6-[(2-fluoro-5-methylanilino)methyl]phenol
CID 61390509
2,4-dimethyl-6-[[2-(trifluoromethyl)anilino]methyl]phenol
CID 70822632
2-bromo-6-[(4-bromo-2-methylanilino)methyl]phenol
CID 61390276
N-[(2-bromophenyl)methyl]-2,6-dimethylaniline
CID 55024912
4-bromo-N-[(2-bromophenyl)methyl]-3-methylaniline
CID 28537521
4-[(2-bromophenyl)methylamino]-N,3-dimethylbenzamide
CID 43740131
1-N-[(2-bromophenyl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590055
2-bromo-N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]benzamide
CID 1016508
1-[(2-bromophenyl)methyl]-3-(2,4-dimethylphenyl)urea
CID 108897860
3-[(3-bromo-2-hydroxyphenyl)methylamino]-2,6-dimethylphenol
CID 61391803

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methylamino]-4,6-dimethylphenol?
The IUPAC name of 2-[(2-bromophenyl)methylamino]-4,6-dimethylphenol (CID 135038178) is 2-[(2-bromophenyl)methylamino]-4,6-dimethylphenol.
What is the SMILES notation for 2-[(2-bromophenyl)methylamino]-4,6-dimethylphenol?
The canonical SMILES for 2-[(2-bromophenyl)methylamino]-4,6-dimethylphenol is Cc1cc(C)c(O)c(NCc2ccccc2Br)c1.
What is the InChIKey of 2-[(2-bromophenyl)methylamino]-4,6-dimethylphenol?
The InChIKey is MBTSBKAAEJMBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-10-7-11(2)15(18)14(8-10)17-9-12-5-3-4-6-13(12)16/h3-8,17-18H,9H2,1-2H3.
What are the key properties of 2-[(2-bromophenyl)methylamino]-4,6-dimethylphenol?
2-[(2-bromophenyl)methylamino]-4,6-dimethylphenol has a molecular weight of 306.20 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methylamino]-4,6-dimethylphenol is sourced from PubChem (CID 135038178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).