[4,5-dimethoxy-2-(2,4,6-trichlorophenyl)phenyl]methanamine

C15H14Cl3NO2 — CID 105350062

IUPAC[4,5-dimethoxy-2-(2,4,6-trichlorophenyl)phenyl]methanamine
SMILESCOc1cc(CN)c(-c2c(Cl)cc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C15H14Cl3NO2/c1-20-13-3-8(7-19)10(6-14(13)21-2)15-11(17)4-9(16)5-12(15)18/h3-6H,7,19H2,1-2H3
InChIKeyXSWIHTLNULXHNU-UHFFFAOYSA-N
MW346.64 g/mol
LogP4.79
Rot. Bonds4

About [4,5-dimethoxy-2-(2,4,6-trichlorophenyl)phenyl]methanamine

[4,5-dimethoxy-2-(2,4,6-trichlorophenyl)phenyl]methanamine (PubChem CID 105350062) has the molecular formula C15H14Cl3NO2 and a molecular weight of 346.64 g/mol. Its IUPAC name is [4,5-dimethoxy-2-(2,4,6-trichlorophenyl)phenyl]methanamine.

Molecular Properties

Compound Name[4,5-dimethoxy-2-(2,4,6-trichlorophenyl)phenyl]methanamine
PubChem CID105350062
Molecular FormulaC15H14Cl3NO2
Molecular Weight346.64 g/mol
Exact Mass345.01
IUPAC Name[4,5-dimethoxy-2-(2,4,6-trichlorophenyl)phenyl]methanamine
SMILESCOc1cc(CN)c(-c2c(Cl)cc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C15H14Cl3NO2/c1-20-13-3-8(7-19)10(6-14(13)21-2)15-11(17)4-9(16)5-12(15)18/h3-6H,7,19H2,1-2H3
InChIKeyXSWIHTLNULXHNU-UHFFFAOYSA-N
XLogP4.79
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.64
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4,5-dimethoxy-2-(2,4,6-trichlorophenyl)phenyl]methanamine?
The IUPAC name of [4,5-dimethoxy-2-(2,4,6-trichlorophenyl)phenyl]methanamine (CID 105350062) is [4,5-dimethoxy-2-(2,4,6-trichlorophenyl)phenyl]methanamine.
What is the SMILES notation for [4,5-dimethoxy-2-(2,4,6-trichlorophenyl)phenyl]methanamine?
The canonical SMILES for [4,5-dimethoxy-2-(2,4,6-trichlorophenyl)phenyl]methanamine is COc1cc(CN)c(-c2c(Cl)cc(Cl)cc2Cl)cc1OC.
What is the InChIKey of [4,5-dimethoxy-2-(2,4,6-trichlorophenyl)phenyl]methanamine?
The InChIKey is XSWIHTLNULXHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NO2/c1-20-13-3-8(7-19)10(6-14(13)21-2)15-11(17)4-9(16)5-12(15)18/h3-6H,7,19H2,1-2H3.
What are the key properties of [4,5-dimethoxy-2-(2,4,6-trichlorophenyl)phenyl]methanamine?
[4,5-dimethoxy-2-(2,4,6-trichlorophenyl)phenyl]methanamine has a molecular weight of 346.64 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-dimethoxy-2-(2,4,6-trichlorophenyl)phenyl]methanamine is sourced from PubChem (CID 105350062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).