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

C₁₇H₁₉ClN₂ — CID 86302641

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 CID: 86302641
• Molecular Formula: C₁₇H₁₉ClN₂
• Molecular Weight: 286.81 g/mol
• Exact Mass: 286.12
• IUPAC Name: (E)-4-(3-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbut-3-en-1-amine
• SMILES: CN(C)CC/C=C(\c1cccc(Cl)c1)c1ccccn1
• InChI: 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+
• InChIKey: QOMYVEXURLCDMM-CXUHLZMHSA-N
• XLogP: 4.12
• TPSA: 16.13 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	286.81
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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).

Sources

• PubChem CID 86302641 — identifiers, structure, computed properties (public domain)

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