2-(2-bromophenoxy)-N,N-dimethylethanamine

C10H14BrNO — CID 888311

IUPAC2-(2-bromophenoxy)-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccccc1Br
InChIInChI=1S/C10H14BrNO/c1-12(2)7-8-13-10-6-4-3-5-9(10)11/h3-6H,7-8H2,1-2H3
InChIKeyOUWAXRLVNYTZJK-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.39
Rot. Bonds4

About 2-(2-bromophenoxy)-N,N-dimethylethanamine

2-(2-bromophenoxy)-N,N-dimethylethanamine (PubChem CID 888311) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N,N-dimethylethanamine
PubChem CID888311
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name2-(2-bromophenoxy)-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccccc1Br
InChIInChI=1S/C10H14BrNO/c1-12(2)7-8-13-10-6-4-3-5-9(10)11/h3-6H,7-8H2,1-2H3
InChIKeyOUWAXRLVNYTZJK-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(2-bromophenoxy)-N,N-dimethylethanamine (CID 888311) is 2-(2-bromophenoxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2-bromophenoxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2-bromophenoxy)-N,N-dimethylethanamine is CN(C)CCOc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenoxy)-N,N-dimethylethanamine?
The InChIKey is OUWAXRLVNYTZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-12(2)7-8-13-10-6-4-3-5-9(10)11/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-(2-bromophenoxy)-N,N-dimethylethanamine?
2-(2-bromophenoxy)-N,N-dimethylethanamine has a molecular weight of 244.13 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N,N-dimethylethanamine is sourced from PubChem (CID 888311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).