2-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylethanamine

C17H21N3 — CID 62132461

IUPAC2-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylethanamine
SMILESNCC(c1ccccn1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H21N3/c18-12-17(16-8-4-5-10-19-16)20-11-9-15(13-20)14-6-2-1-3-7-14/h1-8,10,15,17H,9,11-13,18H2
InChIKeyURJVZJMTILJREY-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.57
Rot. Bonds4

About 2-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylethanamine

2-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylethanamine (PubChem CID 62132461) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name2-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylethanamine
PubChem CID62132461
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylethanamine
SMILESNCC(c1ccccn1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H21N3/c18-12-17(16-8-4-5-10-19-16)20-11-9-15(13-20)14-6-2-1-3-7-14/h1-8,10,15,17H,9,11-13,18H2
InChIKeyURJVZJMTILJREY-UHFFFAOYSA-N
XLogP2.57
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylethanamine?
The IUPAC name of 2-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylethanamine (CID 62132461) is 2-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylethanamine.
What is the SMILES notation for 2-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylethanamine?
The canonical SMILES for 2-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylethanamine is NCC(c1ccccn1)N1CCC(c2ccccc2)C1.
What is the InChIKey of 2-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylethanamine?
The InChIKey is URJVZJMTILJREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c18-12-17(16-8-4-5-10-19-16)20-11-9-15(13-20)14-6-2-1-3-7-14/h1-8,10,15,17H,9,11-13,18H2.
What are the key properties of 2-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylethanamine?
2-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylethanamine has a molecular weight of 267.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylethanamine is sourced from PubChem (CID 62132461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).