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

C10H13BrClN — CID 164751067

IUPAC2-(4-bromo-2-chlorophenyl)-N,N-dimethylethanamine
SMILESCN(C)CCc1ccc(Br)cc1Cl
InChIInChI=1S/C10H13BrClN/c1-13(2)6-5-8-3-4-9(11)7-10(8)12/h3-4,7H,5-6H2,1-2H3
InChIKeySMTZBZOMVWFMSH-UHFFFAOYSA-N
MW262.58 g/mol
LogP3.21
Rot. Bonds3

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

2-(4-bromo-2-chlorophenyl)-N,N-dimethylethanamine (PubChem CID 164751067) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-N,N-dimethylethanamine
PubChem CID164751067
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name2-(4-bromo-2-chlorophenyl)-N,N-dimethylethanamine
SMILESCN(C)CCc1ccc(Br)cc1Cl
InChIInChI=1S/C10H13BrClN/c1-13(2)6-5-8-3-4-9(11)7-10(8)12/h3-4,7H,5-6H2,1-2H3
InChIKeySMTZBZOMVWFMSH-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-(4-Bromophenyl)ethyl)dimethylamine
CID 10751802
2-(2-Chlorophenyl)-N,N-dimethylethanamine
CID 176468
((4-Bromo-2-chlorophenyl)methyl)(methyl)amine
CID 22386925
(4-Bromo-2-chlorophenyl)methanamine
CID 25258775
1-(4-Bromo-2-chlorophenyl)methanamine hydrochloride
CID 53407889
4-Bromo-2-chloro-1-ethylbenzene
CID 53632914
2-(4-Bromo-2-chlorophenyl)-2,2-difluoroethan-1-amine hydrochloride
CID 134690956
(R)-1-(4-Bromo-2-chlorophenyl)ethan-1-amine hydrochloride
CID 155288058
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-bromo-2-(4-chloro-3-methylphenyl)-N,N-dimethylethanamine
CID 90679720

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-N,N-dimethylethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-N,N-dimethylethanamine (CID 164751067) is 2-(4-bromo-2-chlorophenyl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-N,N-dimethylethanamine is CN(C)CCc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-N,N-dimethylethanamine?
The InChIKey is SMTZBZOMVWFMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN/c1-13(2)6-5-8-3-4-9(11)7-10(8)12/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-N,N-dimethylethanamine?
2-(4-bromo-2-chlorophenyl)-N,N-dimethylethanamine has a molecular weight of 262.58 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-N,N-dimethylethanamine is sourced from PubChem (CID 164751067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).