2-bromo-2-(3-chlorophenyl)-N,N-dimethylethanamine

C10H13BrClN — CID 90679713

IUPAC2-bromo-2-(3-chlorophenyl)-N,N-dimethylethanamine
SMILESCN(C)CC(Br)c1cccc(Cl)c1
InChIInChI=1S/C10H13BrClN/c1-13(2)7-10(11)8-4-3-5-9(12)6-8/h3-6,10H,7H2,1-2H3
InChIKeyHEUNEIVUBOPJSZ-UHFFFAOYSA-N
MW262.58 g/mol
LogP3.34
Rot. Bonds3

About 2-bromo-2-(3-chlorophenyl)-N,N-dimethylethanamine

2-bromo-2-(3-chlorophenyl)-N,N-dimethylethanamine (PubChem CID 90679713) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is 2-bromo-2-(3-chlorophenyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-bromo-2-(3-chlorophenyl)-N,N-dimethylethanamine
PubChem CID90679713
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name2-bromo-2-(3-chlorophenyl)-N,N-dimethylethanamine
SMILESCN(C)CC(Br)c1cccc(Cl)c1
InChIInChI=1S/C10H13BrClN/c1-13(2)7-10(11)8-4-3-5-9(12)6-8/h3-6,10H,7H2,1-2H3
InChIKeyHEUNEIVUBOPJSZ-UHFFFAOYSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.58
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-2-(3-chlorophenyl)-N,N-dimethylethanamine 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

[2-(3-Chlorophenyl)ethyl](methyl)amine
CID 10583272
2-(2-Chlorophenyl)-N,N-dimethylethanamine
CID 176468
Phenethylamine, m-chloro-N,N-dimethyl-
CID 176469
N,N-Dimethyl-2-(4-chlorophenyl)ethylamine
CID 12467520
3-Chloro-N,N-dimethylbenzenemethanamine
CID 12617447
Pyridine, 4-(3-chlorophenyl)-1,2,3,6-tetrahydro-1-methyl-
CID 3014741
2-Bromo-N-(2-bromoethyl)-N-(3-chlorobenzyl)ethanamine
CID 46934127
Benzylamine, N-(2-bromoethyl)-p-chloro-N-ethyl-
CID 29857
Benzeneethanamine, beta-bromo-N,N-dimethyl-, hydrobromide (1:1)
CID 121398
2-(3-Chlorophenyl)ethylisocyanide
CID 2757782
1-(1-Bromoethyl)-3-chlorobenzene
CID 9920855
[2-(4-Bromo-2-chlorophenyl)ethyl]dimethylamine
CID 164751067

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(3-chlorophenyl)-N,N-dimethylethanamine?
The IUPAC name of 2-bromo-2-(3-chlorophenyl)-N,N-dimethylethanamine (CID 90679713) is 2-bromo-2-(3-chlorophenyl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-bromo-2-(3-chlorophenyl)-N,N-dimethylethanamine?
The canonical SMILES for 2-bromo-2-(3-chlorophenyl)-N,N-dimethylethanamine is CN(C)CC(Br)c1cccc(Cl)c1.
What is the InChIKey of 2-bromo-2-(3-chlorophenyl)-N,N-dimethylethanamine?
The InChIKey is HEUNEIVUBOPJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN/c1-13(2)7-10(11)8-4-3-5-9(12)6-8/h3-6,10H,7H2,1-2H3.
What are the key properties of 2-bromo-2-(3-chlorophenyl)-N,N-dimethylethanamine?
2-bromo-2-(3-chlorophenyl)-N,N-dimethylethanamine has a molecular weight of 262.58 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(3-chlorophenyl)-N,N-dimethylethanamine is sourced from PubChem (CID 90679713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).