1-[4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine

C15H15Cl2N — CID 82539969

IUPAC1-[4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C15H15Cl2N/c1-10(18-2)11-3-5-12(6-4-11)13-7-14(16)9-15(17)8-13/h3-10,18H,1-2H3
InChIKeyOFFWRZCCGACRQK-UHFFFAOYSA-N
MW280.20 g/mol
LogP4.94
Rot. Bonds3

About 1-[4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine

1-[4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine (PubChem CID 82539969) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is 1-[4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine
PubChem CID82539969
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC Name1-[4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C15H15Cl2N/c1-10(18-2)11-3-5-12(6-4-11)13-7-14(16)9-15(17)8-13/h3-10,18H,1-2H3
InChIKeyOFFWRZCCGACRQK-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine (CID 82539969) is 1-[4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine is CNC(C)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 1-[4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine?
The InChIKey is OFFWRZCCGACRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N/c1-10(18-2)11-3-5-12(6-4-11)13-7-14(16)9-15(17)8-13/h3-10,18H,1-2H3.
What are the key properties of 1-[4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine?
1-[4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine has a molecular weight of 280.20 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 82539969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).