1-[2-(3,4-dichlorophenoxy)phenyl]-N,N-dimethylmethanamine

C15H15Cl2NO — CID 44593444

IUPAC1-[2-(3,4-dichlorophenoxy)phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2NO/c1-18(2)10-11-5-3-4-6-15(11)19-12-7-8-13(16)14(17)9-12/h3-9H,10H2,1-2H3
InChIKeyRUEHEMMKOYGDGT-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.85
Rot. Bonds4

About 1-[2-(3,4-dichlorophenoxy)phenyl]-N,N-dimethylmethanamine

1-[2-(3,4-dichlorophenoxy)phenyl]-N,N-dimethylmethanamine (PubChem CID 44593444) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenoxy)phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenoxy)phenyl]-N,N-dimethylmethanamine
PubChem CID44593444
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name1-[2-(3,4-dichlorophenoxy)phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2NO/c1-18(2)10-11-5-3-4-6-15(11)19-12-7-8-13(16)14(17)9-12/h3-9H,10H2,1-2H3
InChIKeyRUEHEMMKOYGDGT-UHFFFAOYSA-N
XLogP4.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenoxy)phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-(3,4-dichlorophenoxy)phenyl]-N,N-dimethylmethanamine (CID 44593444) is 1-[2-(3,4-dichlorophenoxy)phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-(3,4-dichlorophenoxy)phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-(3,4-dichlorophenoxy)phenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2-(3,4-dichlorophenoxy)phenyl]-N,N-dimethylmethanamine?
The InChIKey is RUEHEMMKOYGDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-18(2)10-11-5-3-4-6-15(11)19-12-7-8-13(16)14(17)9-12/h3-9H,10H2,1-2H3.
What are the key properties of 1-[2-(3,4-dichlorophenoxy)phenyl]-N,N-dimethylmethanamine?
1-[2-(3,4-dichlorophenoxy)phenyl]-N,N-dimethylmethanamine has a molecular weight of 296.20 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenoxy)phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 44593444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).