2-bromo-2-(4-bromo-3-chlorophenyl)-N,N-dimethylethanamine

C10H12Br2ClN — CID 90679721

IUPAC2-bromo-2-(4-bromo-3-chlorophenyl)-N,N-dimethylethanamine
SMILESCN(C)CC(Br)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H12Br2ClN/c1-14(2)6-9(12)7-3-4-8(11)10(13)5-7/h3-5,9H,6H2,1-2H3
InChIKeyUGSRDZARUQBJSV-UHFFFAOYSA-N
MW341.47 g/mol
LogP4.10
Rot. Bonds3

About 2-bromo-2-(4-bromo-3-chlorophenyl)-N,N-dimethylethanamine

2-bromo-2-(4-bromo-3-chlorophenyl)-N,N-dimethylethanamine (PubChem CID 90679721) has the molecular formula C10H12Br2ClN and a molecular weight of 341.47 g/mol. Its IUPAC name is 2-bromo-2-(4-bromo-3-chlorophenyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-bromo-2-(4-bromo-3-chlorophenyl)-N,N-dimethylethanamine
PubChem CID90679721
Molecular FormulaC10H12Br2ClN
Molecular Weight341.47 g/mol
Exact Mass338.90
IUPAC Name2-bromo-2-(4-bromo-3-chlorophenyl)-N,N-dimethylethanamine
SMILESCN(C)CC(Br)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H12Br2ClN/c1-14(2)6-9(12)7-3-4-8(11)10(13)5-7/h3-5,9H,6H2,1-2H3
InChIKeyUGSRDZARUQBJSV-UHFFFAOYSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.47
LogP ≤ 54.10
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

[2-(4-Bromo-2-chlorophenyl)ethyl]dimethylamine
CID 164751067
2-bromo-2-(4-bromophenyl)-N,N-dimethylethanamine
CID 10425300
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-bromo-4-chlorophenyl)-N,N-dimethylethanamine
CID 90679719
2-(4-Bromo-3-chlorophenyl)ethan-1-amine hydrochloride
CID 165946360
2-(4-Bromo-3-chlorophenyl)ethan-1-amine
CID 83715548
2-(4-bromo-5-chloro-2-fluorophenyl)-N-methylethanamine
CID 84807946
4-(4-bromo-5-chloro-2-fluorophenyl)-N-propylbutan-1-amine
CID 105400336
4-(4-bromo-5-chloro-2-fluorophenyl)-N-ethylbutan-1-amine
CID 105400340
6-(4-bromo-5-chloro-2-fluorophenyl)-N-methylhexan-1-amine
CID 105400354

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(4-bromo-3-chlorophenyl)-N,N-dimethylethanamine?
The IUPAC name of 2-bromo-2-(4-bromo-3-chlorophenyl)-N,N-dimethylethanamine (CID 90679721) is 2-bromo-2-(4-bromo-3-chlorophenyl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-bromo-2-(4-bromo-3-chlorophenyl)-N,N-dimethylethanamine?
The canonical SMILES for 2-bromo-2-(4-bromo-3-chlorophenyl)-N,N-dimethylethanamine is CN(C)CC(Br)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 2-bromo-2-(4-bromo-3-chlorophenyl)-N,N-dimethylethanamine?
The InChIKey is UGSRDZARUQBJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2ClN/c1-14(2)6-9(12)7-3-4-8(11)10(13)5-7/h3-5,9H,6H2,1-2H3.
What are the key properties of 2-bromo-2-(4-bromo-3-chlorophenyl)-N,N-dimethylethanamine?
2-bromo-2-(4-bromo-3-chlorophenyl)-N,N-dimethylethanamine has a molecular weight of 341.47 g/mol, XLogP of 4.10, 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-bromo-3-chlorophenyl)-N,N-dimethylethanamine is sourced from PubChem (CID 90679721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).