2-bromo-6-[[[4-(dimethylamino)phenyl]methylamino]methyl]phenol

C16H19BrN2O — CID 61390527

IUPAC2-bromo-6-[[[4-(dimethylamino)phenyl]methylamino]methyl]phenol
SMILESCN(C)c1ccc(CNCc2cccc(Br)c2O)cc1
InChIInChI=1S/C16H19BrN2O/c1-19(2)14-8-6-12(7-9-14)10-18-11-13-4-3-5-15(17)16(13)20/h3-9,18,20H,10-11H2,1-2H3
InChIKeyWGACMDRXGPYXSI-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.51
Rot. Bonds5

About 2-bromo-6-[[[4-(dimethylamino)phenyl]methylamino]methyl]phenol

2-bromo-6-[[[4-(dimethylamino)phenyl]methylamino]methyl]phenol (PubChem CID 61390527) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 2-bromo-6-[[[4-(dimethylamino)phenyl]methylamino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-[[[4-(dimethylamino)phenyl]methylamino]methyl]phenol
PubChem CID61390527
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name2-bromo-6-[[[4-(dimethylamino)phenyl]methylamino]methyl]phenol
SMILESCN(C)c1ccc(CNCc2cccc(Br)c2O)cc1
InChIInChI=1S/C16H19BrN2O/c1-19(2)14-8-6-12(7-9-14)10-18-11-13-4-3-5-15(17)16(13)20/h3-9,18,20H,10-11H2,1-2H3
InChIKeyWGACMDRXGPYXSI-UHFFFAOYSA-N
XLogP3.51
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-bromo-6-[[[4-(dimethylamino)phenyl]methylamino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(2-bromophenyl)methylamino]methyl]-N,N-dimethylaniline
CID 28679649
4-[[[4-(dimethylamino)phenyl]methylamino]methyl]benzene-1,2,3-triol
CID 103953108
2-bromo-6-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenol
CID 62732578
2-bromo-6-[[(1-methylpyrazol-4-yl)methylamino]methyl]phenol
CID 61392128
2-bromo-6-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol
CID 61392226
4-[[(3-bromo-4-methylphenyl)methylamino]methyl]-N,N-dimethylaniline
CID 115875937
4-[[(2,6-dichlorophenyl)methylamino]methyl]-N,N-dimethylaniline
CID 28538578
2-bromo-6-[(2-ethylbutylamino)methyl]phenol
CID 115616914
2-bromo-6-[(3-methylbutylamino)methyl]phenol
CID 61390268
4-[[(4-bromo-2-chlorophenyl)methylamino]methyl]-N,N-dimethylaniline
CID 115595283
2-bromo-6-[[2-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 61390265
2-bromo-6-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]phenol
CID 107234134

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[[[4-(dimethylamino)phenyl]methylamino]methyl]phenol?
The IUPAC name of 2-bromo-6-[[[4-(dimethylamino)phenyl]methylamino]methyl]phenol (CID 61390527) is 2-bromo-6-[[[4-(dimethylamino)phenyl]methylamino]methyl]phenol.
What is the SMILES notation for 2-bromo-6-[[[4-(dimethylamino)phenyl]methylamino]methyl]phenol?
The canonical SMILES for 2-bromo-6-[[[4-(dimethylamino)phenyl]methylamino]methyl]phenol is CN(C)c1ccc(CNCc2cccc(Br)c2O)cc1.
What is the InChIKey of 2-bromo-6-[[[4-(dimethylamino)phenyl]methylamino]methyl]phenol?
The InChIKey is WGACMDRXGPYXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-19(2)14-8-6-12(7-9-14)10-18-11-13-4-3-5-15(17)16(13)20/h3-9,18,20H,10-11H2,1-2H3.
What are the key properties of 2-bromo-6-[[[4-(dimethylamino)phenyl]methylamino]methyl]phenol?
2-bromo-6-[[[4-(dimethylamino)phenyl]methylamino]methyl]phenol has a molecular weight of 335.25 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[[[4-(dimethylamino)phenyl]methylamino]methyl]phenol is sourced from PubChem (CID 61390527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).