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

C16H17ClN2 — CID 86302640

IUPAC(E)-3-(3-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylprop-2-en-1-amine
SMILESCN(C)C/C=C(\c1cccc(Cl)c1)c1ccccn1
InChIInChI=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+
InChIKeyJWNCVTVQWCNGOK-OQLLNIDSSA-N
MW272.78 g/mol
LogP3.73
Rot. Bonds4

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

(E)-3-(3-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylprop-2-en-1-amine (PubChem CID 86302640) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylprop-2-en-1-amine
PubChem CID86302640
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name(E)-3-(3-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylprop-2-en-1-amine
SMILESCN(C)C/C=C(\c1cccc(Cl)c1)c1ccccn1
InChIInChI=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+
InChIKeyJWNCVTVQWCNGOK-OQLLNIDSSA-N
XLogP3.73
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylprop-2-en-1-amine?
The IUPAC name of (E)-3-(3-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylprop-2-en-1-amine (CID 86302640) is (E)-3-(3-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylprop-2-en-1-amine?
The canonical SMILES for (E)-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 (E)-3-(3-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylprop-2-en-1-amine?
The InChIKey is JWNCVTVQWCNGOK-OQLLNIDSSA-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 (E)-3-(3-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylprop-2-en-1-amine?
(E)-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 (E)-3-(3-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylprop-2-en-1-amine is sourced from PubChem (CID 86302640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).