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

C14H13Cl2NO — CID 44562989

IUPAC1-[2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2NO/c1-17-9-10-4-2-3-5-14(10)18-11-6-7-12(15)13(16)8-11/h2-8,17H,9H2,1H3
InChIKeyCPHHHCKJXRNBLC-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.51
Rot. Bonds4

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

1-[2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine (PubChem CID 44562989) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine
PubChem CID44562989
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name1-[2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2NO/c1-17-9-10-4-2-3-5-14(10)18-11-6-7-12(15)13(16)8-11/h2-8,17H,9H2,1H3
InChIKeyCPHHHCKJXRNBLC-UHFFFAOYSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine (CID 44562989) is 1-[2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine is CNCc1ccccc1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine?
The InChIKey is CPHHHCKJXRNBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c1-17-9-10-4-2-3-5-14(10)18-11-6-7-12(15)13(16)8-11/h2-8,17H,9H2,1H3.
What are the key properties of 1-[2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine?
1-[2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine has a molecular weight of 282.17 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 44562989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).