4-bromo-2-[(N,4-dimethylanilino)methyl]phenol

C15H16BrNO — CID 82979138

IUPAC4-bromo-2-[(N,4-dimethylanilino)methyl]phenol
SMILESCc1ccc(N(C)Cc2cc(Br)ccc2O)cc1
InChIInChI=1S/C15H16BrNO/c1-11-3-6-14(7-4-11)17(2)10-12-9-13(16)5-8-15(12)18/h3-9,18H,10H2,1-2H3
InChIKeyUCNZJHFQIQLQLX-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.10
Rot. Bonds3

About 4-bromo-2-[(N,4-dimethylanilino)methyl]phenol

4-bromo-2-[(N,4-dimethylanilino)methyl]phenol (PubChem CID 82979138) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 4-bromo-2-[(N,4-dimethylanilino)methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(N,4-dimethylanilino)methyl]phenol
PubChem CID82979138
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name4-bromo-2-[(N,4-dimethylanilino)methyl]phenol
SMILESCc1ccc(N(C)Cc2cc(Br)ccc2O)cc1
InChIInChI=1S/C15H16BrNO/c1-11-3-6-14(7-4-11)17(2)10-12-9-13(16)5-8-15(12)18/h3-9,18H,10H2,1-2H3
InChIKeyUCNZJHFQIQLQLX-UHFFFAOYSA-N
XLogP4.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[(4-ethyl-N-methylanilino)methyl]-4-methylphenol
CID 82978731
4-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978580
4-bromo-2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]phenol
CID 82981508
4-bromo-2-[[3-(dimethylamino)propyl-methylamino]methyl]phenol
CID 82981356
4-chloro-2-[(N,3,5-trimethylanilino)methyl]phenol
CID 82978606
4-bromo-2-[[methyl(pentyl)amino]methyl]phenol
CID 82977633
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N,4-dimethylaniline
CID 102770113
5-[[4-[(2-hydroxy-5-methylphenyl)methyl-methylamino]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 154931959
5-bromo-2-[(4-ethyl-N-methylanilino)methyl]aniline
CID 79712794
6-bromo-3-[(N,2-dimethylanilino)methyl]naphthalen-2-ol
CID 20604839
2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylphenol
CID 63324955
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,4-trimethylaniline
CID 63458833

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(N,4-dimethylanilino)methyl]phenol?
The IUPAC name of 4-bromo-2-[(N,4-dimethylanilino)methyl]phenol (CID 82979138) is 4-bromo-2-[(N,4-dimethylanilino)methyl]phenol.
What is the SMILES notation for 4-bromo-2-[(N,4-dimethylanilino)methyl]phenol?
The canonical SMILES for 4-bromo-2-[(N,4-dimethylanilino)methyl]phenol is Cc1ccc(N(C)Cc2cc(Br)ccc2O)cc1.
What is the InChIKey of 4-bromo-2-[(N,4-dimethylanilino)methyl]phenol?
The InChIKey is UCNZJHFQIQLQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-11-3-6-14(7-4-11)17(2)10-12-9-13(16)5-8-15(12)18/h3-9,18H,10H2,1-2H3.
What are the key properties of 4-bromo-2-[(N,4-dimethylanilino)methyl]phenol?
4-bromo-2-[(N,4-dimethylanilino)methyl]phenol has a molecular weight of 306.20 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(N,4-dimethylanilino)methyl]phenol is sourced from PubChem (CID 82979138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).