2-bromo-2-(4-chloro-3-methylphenyl)-N,N-dimethylethanamine

C11H15BrClN — CID 90679720

IUPAC2-bromo-2-(4-chloro-3-methylphenyl)-N,N-dimethylethanamine
SMILESCc1cc(C(Br)CN(C)C)ccc1Cl
InChIInChI=1S/C11H15BrClN/c1-8-6-9(4-5-11(8)13)10(12)7-14(2)3/h4-6,10H,7H2,1-3H3
InChIKeyQKPHXQLQYQHPQN-UHFFFAOYSA-N
MW276.61 g/mol
LogP3.65
Rot. Bonds3

About 2-bromo-2-(4-chloro-3-methylphenyl)-N,N-dimethylethanamine

2-bromo-2-(4-chloro-3-methylphenyl)-N,N-dimethylethanamine (PubChem CID 90679720) has the molecular formula C11H15BrClN and a molecular weight of 276.61 g/mol. Its IUPAC name is 2-bromo-2-(4-chloro-3-methylphenyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-bromo-2-(4-chloro-3-methylphenyl)-N,N-dimethylethanamine
PubChem CID90679720
Molecular FormulaC11H15BrClN
Molecular Weight276.61 g/mol
Exact Mass275.01
IUPAC Name2-bromo-2-(4-chloro-3-methylphenyl)-N,N-dimethylethanamine
SMILESCc1cc(C(Br)CN(C)C)ccc1Cl
InChIInChI=1S/C11H15BrClN/c1-8-6-9(4-5-11(8)13)10(12)7-14(2)3/h4-6,10H,7H2,1-3H3
InChIKeyQKPHXQLQYQHPQN-UHFFFAOYSA-N
XLogP3.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.61
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-2-(4-chloro-3-methylphenyl)-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-(2-Chlorophenyl)-N,N-dimethylethanamine
CID 176468
3-(4-Chloro-3-methylphenyl)-1-methyl-2,3,4,7-tetrahydroazepine
CID 71541187
N,N-Dimethyl-2-(4-chlorophenyl)ethylamine
CID 12467520
2-(2,4-dichlorophenyl)-N,N-dimethyl-ethanamine
CID 368403
Benzylamine, N-(2-bromoethyl)-p-chloro-N-ethyl-
CID 29857
[2-(4-Bromo-2-chlorophenyl)ethyl]dimethylamine
CID 164751067
2-bromo-2-(3-chloro-4-fluorophenyl)-N,N-dimethylethanamine
CID 10468896
2-bromo-2-(4-chlorophenyl)-N,N-dimethylethanamine
CID 90679711
2-bromo-2-(3-chlorophenyl)-N,N-dimethylethanamine
CID 90679713
2-bromo-2-(3,4-dichlorophenyl)-N,N-dimethylethanamine
CID 90679718
2-bromo-2-(3-bromo-4-chlorophenyl)-N,N-dimethylethanamine
CID 90679719
2-(2,4-dichlorophenyl)-N,N-dimethylethanamine;hydrochloride
CID 368402

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(4-chloro-3-methylphenyl)-N,N-dimethylethanamine?
The IUPAC name of 2-bromo-2-(4-chloro-3-methylphenyl)-N,N-dimethylethanamine (CID 90679720) is 2-bromo-2-(4-chloro-3-methylphenyl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-bromo-2-(4-chloro-3-methylphenyl)-N,N-dimethylethanamine?
The canonical SMILES for 2-bromo-2-(4-chloro-3-methylphenyl)-N,N-dimethylethanamine is Cc1cc(C(Br)CN(C)C)ccc1Cl.
What is the InChIKey of 2-bromo-2-(4-chloro-3-methylphenyl)-N,N-dimethylethanamine?
The InChIKey is QKPHXQLQYQHPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN/c1-8-6-9(4-5-11(8)13)10(12)7-14(2)3/h4-6,10H,7H2,1-3H3.
What are the key properties of 2-bromo-2-(4-chloro-3-methylphenyl)-N,N-dimethylethanamine?
2-bromo-2-(4-chloro-3-methylphenyl)-N,N-dimethylethanamine has a molecular weight of 276.61 g/mol, XLogP of 3.65, 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-chloro-3-methylphenyl)-N,N-dimethylethanamine is sourced from PubChem (CID 90679720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).