(Z)-3-(3-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylprop-2-en-1-amine

C₁₆H₁₇ClN₂ — CID 90681225

About (Z)-3-(3-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylprop-2-en-1-amine

(Z)-3-(3-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylprop-2-en-1-amine (PubChem CID 90681225) has the molecular formula C₁₆H₁₇ClN₂ and a molecular weight of 272.78 g/mol. Its IUPAC name is (Z)-3-(3-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylprop-2-en-1-amine.

Molecular Properties

• Compound Name: (Z)-3-(3-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylprop-2-en-1-amine
• PubChem CID: 90681225
• Molecular Formula: C₁₆H₁₇ClN₂
• Molecular Weight: 272.78 g/mol
• Exact Mass: 272.11
• IUPAC Name: (Z)-3-(3-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylprop-2-en-1-amine
• SMILES: CN(C)C/C=C(/c1cccc(Cl)c1)c1ccccn1
• InChI: InChI=1S/C16H17ClN2/c1-19(2)11-9-15(16-8-3-4-10-18-16)13-6-5-7-14(17)12-13/h3-10,12H,11H2,1-2H3/b15-9-
• InChIKey: JWNCVTVQWCNGOK-DHDCSXOGSA-N
• XLogP: 3.73
• TPSA: 16.13 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	272.78
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylprop-2-en-1-amine?

The IUPAC name of (Z)-3-(3-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylprop-2-en-1-amine (CID 90681225) is (Z)-3-(3-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylprop-2-en-1-amine.

What is the SMILES notation for (Z)-3-(3-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylprop-2-en-1-amine?

The canonical SMILES for (Z)-3-(3-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylprop-2-en-1-amine is CN(C)C/C=C(/c1cccc(Cl)c1)c1ccccn1.

What is the InChIKey of (Z)-3-(3-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylprop-2-en-1-amine?

The InChIKey is JWNCVTVQWCNGOK-DHDCSXOGSA-N. The full InChI is InChI=1S/C16H17ClN2/c1-19(2)11-9-15(16-8-3-4-10-18-16)13-6-5-7-14(17)12-13/h3-10,12H,11H2,1-2H3/b15-9-.

What are the key properties of (Z)-3-(3-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylprop-2-en-1-amine?

(Z)-3-(3-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylprop-2-en-1-amine has a molecular weight of 272.78 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-(3-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylprop-2-en-1-amine is sourced from PubChem (CID 90681225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 90681225 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.