[(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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Related Compounds

(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 58067491
[1-(3-chloro-2-pyridinyl)azepan-2-yl]methanamine
CID 116640243
[1-(3-propoxy-2-pyridinyl)pyrrolidin-2-yl]methanamine
CID 113371134
(1-isoquinolin-1-ylazepan-2-yl)methanamine
CID 116640341
[1-(5-phenylpyrimidin-2-yl)piperidin-2-yl]methanamine
CID 103279108
[1-[3-(aminomethyl)-2-pyridinyl]piperidin-2-yl]methanol
CID 61407036
[1-[3-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 61411243
[1-(3-amino-2-pyridinyl)piperidin-2-yl]methanol
CID 61406906
(1-thieno[3,2-c]pyridin-4-ylpyrrolidin-2-yl)methanamine
CID 62592284
[(2R)-1-phenylpiperidin-2-yl]methanamine
CID 131023899
[1-(5-methoxyisoquinolin-1-yl)pyrrolidin-2-yl]methanamine
CID 106540997
2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]pyridin-3-ol
CID 97169524

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).