2-(3,5-dichlorophenoxy)-N,N-dimethylethanamine

C10H13Cl2NO — CID 3744277

IUPAC2-(3,5-dichlorophenoxy)-N,N-dimethylethanamine
SMILESCN(C)CCOc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H13Cl2NO/c1-13(2)3-4-14-10-6-8(11)5-9(12)7-10/h5-7H,3-4H2,1-2H3
InChIKeyACZZLCHXEZHZRO-UHFFFAOYSA-N
MW234.13 g/mol
LogP2.93
Rot. Bonds4

About 2-(3,5-dichlorophenoxy)-N,N-dimethylethanamine

2-(3,5-dichlorophenoxy)-N,N-dimethylethanamine (PubChem CID 3744277) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is 2-(3,5-dichlorophenoxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(3,5-dichlorophenoxy)-N,N-dimethylethanamine
PubChem CID3744277
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name2-(3,5-dichlorophenoxy)-N,N-dimethylethanamine
SMILESCN(C)CCOc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H13Cl2NO/c1-13(2)3-4-14-10-6-8(11)5-9(12)7-10/h5-7H,3-4H2,1-2H3
InChIKeyACZZLCHXEZHZRO-UHFFFAOYSA-N
XLogP2.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenoxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(3,5-dichlorophenoxy)-N,N-dimethylethanamine (CID 3744277) is 2-(3,5-dichlorophenoxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(3,5-dichlorophenoxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(3,5-dichlorophenoxy)-N,N-dimethylethanamine is CN(C)CCOc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenoxy)-N,N-dimethylethanamine?
The InChIKey is ACZZLCHXEZHZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO/c1-13(2)3-4-14-10-6-8(11)5-9(12)7-10/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-(3,5-dichlorophenoxy)-N,N-dimethylethanamine?
2-(3,5-dichlorophenoxy)-N,N-dimethylethanamine has a molecular weight of 234.13 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenoxy)-N,N-dimethylethanamine is sourced from PubChem (CID 3744277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).