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

C10H13BrClN — CID 90679711

IUPAC2-bromo-2-(4-chlorophenyl)-N,N-dimethylethanamine
SMILESCN(C)CC(Br)c1ccc(Cl)cc1
InChIInChI=1S/C10H13BrClN/c1-13(2)7-10(11)8-3-5-9(12)6-4-8/h3-6,10H,7H2,1-2H3
InChIKeyPUOSWBYUCVUZQA-UHFFFAOYSA-N
MW262.58 g/mol
LogP3.34
Rot. Bonds3

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

2-bromo-2-(4-chlorophenyl)-N,N-dimethylethanamine (PubChem CID 90679711) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is 2-bromo-2-(4-chlorophenyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-bromo-2-(4-chlorophenyl)-N,N-dimethylethanamine
PubChem CID90679711
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name2-bromo-2-(4-chlorophenyl)-N,N-dimethylethanamine
SMILESCN(C)CC(Br)c1ccc(Cl)cc1
InChIInChI=1S/C10H13BrClN/c1-13(2)7-10(11)8-3-5-9(12)6-4-8/h3-6,10H,7H2,1-2H3
InChIKeyPUOSWBYUCVUZQA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(4-chlorophenyl)-N,N-dimethylethanamine?
The IUPAC name of 2-bromo-2-(4-chlorophenyl)-N,N-dimethylethanamine (CID 90679711) is 2-bromo-2-(4-chlorophenyl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-bromo-2-(4-chlorophenyl)-N,N-dimethylethanamine?
The canonical SMILES for 2-bromo-2-(4-chlorophenyl)-N,N-dimethylethanamine is CN(C)CC(Br)c1ccc(Cl)cc1.
What is the InChIKey of 2-bromo-2-(4-chlorophenyl)-N,N-dimethylethanamine?
The InChIKey is PUOSWBYUCVUZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN/c1-13(2)7-10(11)8-3-5-9(12)6-4-8/h3-6,10H,7H2,1-2H3.
What are the key properties of 2-bromo-2-(4-chlorophenyl)-N,N-dimethylethanamine?
2-bromo-2-(4-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-(4-chlorophenyl)-N,N-dimethylethanamine is sourced from PubChem (CID 90679711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).