2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylpyridin-3-amine

C15H15Cl2N3 — CID 66657206

IUPAC2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylpyridin-3-amine
SMILESClc1ccc(-c2ncccc2NC2CCNC2)cc1Cl
InChIInChI=1S/C15H15Cl2N3/c16-12-4-3-10(8-13(12)17)15-14(2-1-6-19-15)20-11-5-7-18-9-11/h1-4,6,8,11,18,20H,5,7,9H2
InChIKeyGPQYGLZBKLSTHE-UHFFFAOYSA-N
MW308.21 g/mol
LogP3.83
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylpyridin-3-amine

2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylpyridin-3-amine (PubChem CID 66657206) has the molecular formula C15H15Cl2N3 and a molecular weight of 308.21 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylpyridin-3-amine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylpyridin-3-amine
PubChem CID66657206
Molecular FormulaC15H15Cl2N3
Molecular Weight308.21 g/mol
Exact Mass307.06
IUPAC Name2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylpyridin-3-amine
SMILESClc1ccc(-c2ncccc2NC2CCNC2)cc1Cl
InChIInChI=1S/C15H15Cl2N3/c16-12-4-3-10(8-13(12)17)15-14(2-1-6-19-15)20-11-5-7-18-9-11/h1-4,6,8,11,18,20H,5,7,9H2
InChIKeyGPQYGLZBKLSTHE-UHFFFAOYSA-N
XLogP3.83
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylpyridin-3-amine?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylpyridin-3-amine (CID 66657206) is 2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylpyridin-3-amine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylpyridin-3-amine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylpyridin-3-amine is Clc1ccc(-c2ncccc2NC2CCNC2)cc1Cl.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylpyridin-3-amine?
The InChIKey is GPQYGLZBKLSTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3/c16-12-4-3-10(8-13(12)17)15-14(2-1-6-19-15)20-11-5-7-18-9-11/h1-4,6,8,11,18,20H,5,7,9H2.
What are the key properties of 2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylpyridin-3-amine?
2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylpyridin-3-amine has a molecular weight of 308.21 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylpyridin-3-amine is sourced from PubChem (CID 66657206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).