1,5-dimethyl-N-(2,4,6-trichlorophenyl)pyrrolidin-3-amine

C12H15Cl3N2 — CID 81466036

IUPAC1,5-dimethyl-N-(2,4,6-trichlorophenyl)pyrrolidin-3-amine
SMILESCC1CC(Nc2c(Cl)cc(Cl)cc2Cl)CN1C
InChIInChI=1S/C12H15Cl3N2/c1-7-3-9(6-17(7)2)16-12-10(14)4-8(13)5-11(12)15/h4-5,7,9,16H,3,6H2,1-2H3
InChIKeyAEWPVSDHOZEMCZ-UHFFFAOYSA-N
MW293.62 g/mol
LogP4.15
Rot. Bonds2

About 1,5-dimethyl-N-(2,4,6-trichlorophenyl)pyrrolidin-3-amine

1,5-dimethyl-N-(2,4,6-trichlorophenyl)pyrrolidin-3-amine (PubChem CID 81466036) has the molecular formula C12H15Cl3N2 and a molecular weight of 293.62 g/mol. Its IUPAC name is 1,5-dimethyl-N-(2,4,6-trichlorophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-(2,4,6-trichlorophenyl)pyrrolidin-3-amine
PubChem CID81466036
Molecular FormulaC12H15Cl3N2
Molecular Weight293.62 g/mol
Exact Mass292.03
IUPAC Name1,5-dimethyl-N-(2,4,6-trichlorophenyl)pyrrolidin-3-amine
SMILESCC1CC(Nc2c(Cl)cc(Cl)cc2Cl)CN1C
InChIInChI=1S/C12H15Cl3N2/c1-7-3-9(6-17(7)2)16-12-10(14)4-8(13)5-11(12)15/h4-5,7,9,16H,3,6H2,1-2H3
InChIKeyAEWPVSDHOZEMCZ-UHFFFAOYSA-N
XLogP4.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.62
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(2,4,6-trichlorophenyl)pyrrolidin-3-amine?
The IUPAC name of 1,5-dimethyl-N-(2,4,6-trichlorophenyl)pyrrolidin-3-amine (CID 81466036) is 1,5-dimethyl-N-(2,4,6-trichlorophenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1,5-dimethyl-N-(2,4,6-trichlorophenyl)pyrrolidin-3-amine?
The canonical SMILES for 1,5-dimethyl-N-(2,4,6-trichlorophenyl)pyrrolidin-3-amine is CC1CC(Nc2c(Cl)cc(Cl)cc2Cl)CN1C.
What is the InChIKey of 1,5-dimethyl-N-(2,4,6-trichlorophenyl)pyrrolidin-3-amine?
The InChIKey is AEWPVSDHOZEMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl3N2/c1-7-3-9(6-17(7)2)16-12-10(14)4-8(13)5-11(12)15/h4-5,7,9,16H,3,6H2,1-2H3.
What are the key properties of 1,5-dimethyl-N-(2,4,6-trichlorophenyl)pyrrolidin-3-amine?
1,5-dimethyl-N-(2,4,6-trichlorophenyl)pyrrolidin-3-amine has a molecular weight of 293.62 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(2,4,6-trichlorophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 81466036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).