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

C10H12BrCl2N — CID 90679718

IUPAC2-bromo-2-(3,4-dichlorophenyl)-N,N-dimethylethanamine
SMILESCN(C)CC(Br)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12BrCl2N/c1-14(2)6-8(11)7-3-4-9(12)10(13)5-7/h3-5,8H,6H2,1-2H3
InChIKeyWDIWXFXTHMWQAX-UHFFFAOYSA-N
MW297.02 g/mol
LogP3.99
Rot. Bonds3

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

2-bromo-2-(3,4-dichlorophenyl)-N,N-dimethylethanamine (PubChem CID 90679718) has the molecular formula C10H12BrCl2N and a molecular weight of 297.02 g/mol. Its IUPAC name is 2-bromo-2-(3,4-dichlorophenyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-bromo-2-(3,4-dichlorophenyl)-N,N-dimethylethanamine
PubChem CID90679718
Molecular FormulaC10H12BrCl2N
Molecular Weight297.02 g/mol
Exact Mass294.95
IUPAC Name2-bromo-2-(3,4-dichlorophenyl)-N,N-dimethylethanamine
SMILESCN(C)CC(Br)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12BrCl2N/c1-14(2)6-8(11)7-3-4-9(12)10(13)5-7/h3-5,8H,6H2,1-2H3
InChIKeyWDIWXFXTHMWQAX-UHFFFAOYSA-N
XLogP3.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.02
LogP ≤ 53.99
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-(3,4-dichlorophenyl)-N,N-dimethylethanamine?
The IUPAC name of 2-bromo-2-(3,4-dichlorophenyl)-N,N-dimethylethanamine (CID 90679718) is 2-bromo-2-(3,4-dichlorophenyl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-bromo-2-(3,4-dichlorophenyl)-N,N-dimethylethanamine?
The canonical SMILES for 2-bromo-2-(3,4-dichlorophenyl)-N,N-dimethylethanamine is CN(C)CC(Br)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-bromo-2-(3,4-dichlorophenyl)-N,N-dimethylethanamine?
The InChIKey is WDIWXFXTHMWQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrCl2N/c1-14(2)6-8(11)7-3-4-9(12)10(13)5-7/h3-5,8H,6H2,1-2H3.
What are the key properties of 2-bromo-2-(3,4-dichlorophenyl)-N,N-dimethylethanamine?
2-bromo-2-(3,4-dichlorophenyl)-N,N-dimethylethanamine has a molecular weight of 297.02 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(3,4-dichlorophenyl)-N,N-dimethylethanamine is sourced from PubChem (CID 90679718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).