(E)-4-(3-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbut-3-en-1-amine

C17H19ClN2 — CID 86302641

IUPAC(E)-4-(3-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbut-3-en-1-amine
SMILESCN(C)CC/C=C(\c1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C17H19ClN2/c1-20(2)12-6-9-16(17-10-3-4-11-19-17)14-7-5-8-15(18)13-14/h3-5,7-11,13H,6,12H2,1-2H3/b16-9+
InChIKeyQOMYVEXURLCDMM-CXUHLZMHSA-N
MW286.81 g/mol
LogP4.12
Rot. Bonds5

About (E)-4-(3-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbut-3-en-1-amine

(E)-4-(3-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbut-3-en-1-amine (PubChem CID 86302641) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is (E)-4-(3-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbut-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(3-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbut-3-en-1-amine
PubChem CID86302641
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name(E)-4-(3-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbut-3-en-1-amine
SMILESCN(C)CC/C=C(\c1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C17H19ClN2/c1-20(2)12-6-9-16(17-10-3-4-11-19-17)14-7-5-8-15(18)13-14/h3-5,7-11,13H,6,12H2,1-2H3/b16-9+
InChIKeyQOMYVEXURLCDMM-CXUHLZMHSA-N
XLogP4.12
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbut-3-en-1-amine?
The IUPAC name of (E)-4-(3-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbut-3-en-1-amine (CID 86302641) is (E)-4-(3-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbut-3-en-1-amine.
What is the SMILES notation for (E)-4-(3-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbut-3-en-1-amine?
The canonical SMILES for (E)-4-(3-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbut-3-en-1-amine is CN(C)CC/C=C(\c1cccc(Cl)c1)c1ccccn1.
What is the InChIKey of (E)-4-(3-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbut-3-en-1-amine?
The InChIKey is QOMYVEXURLCDMM-CXUHLZMHSA-N. The full InChI is InChI=1S/C17H19ClN2/c1-20(2)12-6-9-16(17-10-3-4-11-19-17)14-7-5-8-15(18)13-14/h3-5,7-11,13H,6,12H2,1-2H3/b16-9+.
What are the key properties of (E)-4-(3-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbut-3-en-1-amine?
(E)-4-(3-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbut-3-en-1-amine has a molecular weight of 286.81 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbut-3-en-1-amine is sourced from PubChem (CID 86302641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).