2-bromo-2-(4-bromophenyl)-N,N-dimethylethanamine

C10H13Br2N — CID 10425300

IUPAC2-bromo-2-(4-bromophenyl)-N,N-dimethylethanamine
SMILESCN(C)CC(Br)c1ccc(Br)cc1
InChIInChI=1S/C10H13Br2N/c1-13(2)7-10(12)8-3-5-9(11)6-4-8/h3-6,10H,7H2,1-2H3
InChIKeyVTKFWVGXDMYJEA-UHFFFAOYSA-N
MW307.03 g/mol
LogP3.45
Rot. Bonds3

About 2-bromo-2-(4-bromophenyl)-N,N-dimethylethanamine

2-bromo-2-(4-bromophenyl)-N,N-dimethylethanamine (PubChem CID 10425300) has the molecular formula C10H13Br2N and a molecular weight of 307.03 g/mol. Its IUPAC name is 2-bromo-2-(4-bromophenyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-bromo-2-(4-bromophenyl)-N,N-dimethylethanamine
PubChem CID10425300
Molecular FormulaC10H13Br2N
Molecular Weight307.03 g/mol
Exact Mass304.94
IUPAC Name2-bromo-2-(4-bromophenyl)-N,N-dimethylethanamine
SMILESCN(C)CC(Br)c1ccc(Br)cc1
InChIInChI=1S/C10H13Br2N/c1-13(2)7-10(12)8-3-5-9(11)6-4-8/h3-6,10H,7H2,1-2H3
InChIKeyVTKFWVGXDMYJEA-UHFFFAOYSA-N
XLogP3.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.03
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Bretylium
CID 2431
4-Bromo-alpha-methylbenzeneethanamine
CID 205668
p-Bromophenethylamine
CID 533915
N,N-dimethyl-2-bromophenylethylamine
CID 151465
2-(2-bromophenyl)-N-methylethanamine
CID 11964124
[2-(4-Bromophenyl)ethyl](methyl)amine
CID 18367556
4-Bromo-N,N-dimethylbenzylamine
CID 235757
Benzenemethanamine, 4-bromo-N-methyl-
CID 485400
(2-(4-Bromophenyl)ethyl)dimethylamine
CID 10751802
2-(4-Bromophenyl)-1-methylpyrrolidine
CID 284897
1-(4-Bromobenzyl)pyrrolidine
CID 12738004
2-(4-bromophenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine;hydrochloride
CID 118733539

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(4-bromophenyl)-N,N-dimethylethanamine?
The IUPAC name of 2-bromo-2-(4-bromophenyl)-N,N-dimethylethanamine (CID 10425300) is 2-bromo-2-(4-bromophenyl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-bromo-2-(4-bromophenyl)-N,N-dimethylethanamine?
The canonical SMILES for 2-bromo-2-(4-bromophenyl)-N,N-dimethylethanamine is CN(C)CC(Br)c1ccc(Br)cc1.
What is the InChIKey of 2-bromo-2-(4-bromophenyl)-N,N-dimethylethanamine?
The InChIKey is VTKFWVGXDMYJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2N/c1-13(2)7-10(12)8-3-5-9(11)6-4-8/h3-6,10H,7H2,1-2H3.
What are the key properties of 2-bromo-2-(4-bromophenyl)-N,N-dimethylethanamine?
2-bromo-2-(4-bromophenyl)-N,N-dimethylethanamine has a molecular weight of 307.03 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(4-bromophenyl)-N,N-dimethylethanamine is sourced from PubChem (CID 10425300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).