(E)-3-(2,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine

C15H14Cl2N2 — CID 12930059

IUPAC(E)-3-(2,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine
SMILESCNC/C=C(\c1cccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N2/c1-18-8-6-13(11-3-2-7-19-10-11)14-5-4-12(16)9-15(14)17/h2-7,9-10,18H,8H2,1H3/b13-6+
InChIKeyZJOZYSDUPAKSCW-AWNIVKPZSA-N
MW293.20 g/mol
LogP4.04
Rot. Bonds4

About (E)-3-(2,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine

(E)-3-(2,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine (PubChem CID 12930059) has the molecular formula C15H14Cl2N2 and a molecular weight of 293.20 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine
PubChem CID12930059
Molecular FormulaC15H14Cl2N2
Molecular Weight293.20 g/mol
Exact Mass292.05
IUPAC Name(E)-3-(2,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine
SMILESCNC/C=C(\c1cccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N2/c1-18-8-6-13(11-3-2-7-19-10-11)14-5-4-12(16)9-15(14)17/h2-7,9-10,18H,8H2,1H3/b13-6+
InChIKeyZJOZYSDUPAKSCW-AWNIVKPZSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine (CID 12930059) is (E)-3-(2,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine is CNC/C=C(\c1cccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine?
The InChIKey is ZJOZYSDUPAKSCW-AWNIVKPZSA-N. The full InChI is InChI=1S/C15H14Cl2N2/c1-18-8-6-13(11-3-2-7-19-10-11)14-5-4-12(16)9-15(14)17/h2-7,9-10,18H,8H2,1H3/b13-6+.
What are the key properties of (E)-3-(2,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine?
(E)-3-(2,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine has a molecular weight of 293.20 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine is sourced from PubChem (CID 12930059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).