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

C16H16Cl2N2 — CID 12930054

IUPAC(E)-3-(2,4-dichlorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine
SMILESCN(C)C/C=C(\c1cccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2/c1-20(2)9-7-14(12-4-3-8-19-11-12)15-6-5-13(17)10-16(15)18/h3-8,10-11H,9H2,1-2H3/b14-7+
InChIKeyOVCATABFQODVNM-VGOFMYFVSA-N
MW307.22 g/mol
LogP4.38
Rot. Bonds4

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

(E)-3-(2,4-dichlorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine (PubChem CID 12930054) has the molecular formula C16H16Cl2N2 and a molecular weight of 307.22 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine
PubChem CID12930054
Molecular FormulaC16H16Cl2N2
Molecular Weight307.22 g/mol
Exact Mass306.07
IUPAC Name(E)-3-(2,4-dichlorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine
SMILESCN(C)C/C=C(\c1cccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2/c1-20(2)9-7-14(12-4-3-8-19-11-12)15-6-5-13(17)10-16(15)18/h3-8,10-11H,9H2,1-2H3/b14-7+
InChIKeyOVCATABFQODVNM-VGOFMYFVSA-N
XLogP4.38
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dichlorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine (CID 12930054) is (E)-3-(2,4-dichlorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine is CN(C)C/C=C(\c1cccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine?
The InChIKey is OVCATABFQODVNM-VGOFMYFVSA-N. The full InChI is InChI=1S/C16H16Cl2N2/c1-20(2)9-7-14(12-4-3-8-19-11-12)15-6-5-13(17)10-16(15)18/h3-8,10-11H,9H2,1-2H3/b14-7+.
What are the key properties of (E)-3-(2,4-dichlorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine?
(E)-3-(2,4-dichlorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine has a molecular weight of 307.22 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine is sourced from PubChem (CID 12930054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).