[(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidin-2-yl]methanamine

C16H19N3 — CID 58067642

IUPAC[(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1CCCN1c1ncccc1-c1ccccc1
InChIInChI=1S/C16H19N3/c17-12-14-8-5-11-19(14)16-15(9-4-10-18-16)13-6-2-1-3-7-13/h1-4,6-7,9-10,14H,5,8,11-12,17H2/t14-/m0/s1
InChIKeyWJTUMQLZKYVDLA-AWEZNQCLSA-N
MW253.35 g/mol
LogP2.68
Rot. Bonds3

About [(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidin-2-yl]methanamine

[(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidin-2-yl]methanamine (PubChem CID 58067642) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is [(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidin-2-yl]methanamine
PubChem CID58067642
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name[(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1CCCN1c1ncccc1-c1ccccc1
InChIInChI=1S/C16H19N3/c17-12-14-8-5-11-19(14)16-15(9-4-10-18-16)13-6-2-1-3-7-13/h1-4,6-7,9-10,14H,5,8,11-12,17H2/t14-/m0/s1
InChIKeyWJTUMQLZKYVDLA-AWEZNQCLSA-N
XLogP2.68
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidin-2-yl]methanamine (CID 58067642) is [(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidin-2-yl]methanamine is NC[C@@H]1CCCN1c1ncccc1-c1ccccc1.
What is the InChIKey of [(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidin-2-yl]methanamine?
The InChIKey is WJTUMQLZKYVDLA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19N3/c17-12-14-8-5-11-19(14)16-15(9-4-10-18-16)13-6-2-1-3-7-13/h1-4,6-7,9-10,14H,5,8,11-12,17H2/t14-/m0/s1.
What are the key properties of [(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidin-2-yl]methanamine?
[(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidin-2-yl]methanamine has a molecular weight of 253.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 58067642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).