(2S)-1-phenyl-3-pyrrolidin-1-ylpropan-2-amine

C13H20N2 — CID 22689565

IUPAC(2S)-1-phenyl-3-pyrrolidin-1-ylpropan-2-amine
SMILESN[C@@H](Cc1ccccc1)CN1CCCC1
InChIInChI=1S/C13H20N2/c14-13(11-15-8-4-5-9-15)10-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,14H2/t13-/m0/s1
InChIKeyYDLCAQYNXGDYTM-ZDUSSCGKSA-N
MW204.32 g/mol
LogP1.65
Rot. Bonds4

About (2S)-1-phenyl-3-pyrrolidin-1-ylpropan-2-amine

(2S)-1-phenyl-3-pyrrolidin-1-ylpropan-2-amine (PubChem CID 22689565) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (2S)-1-phenyl-3-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-phenyl-3-pyrrolidin-1-ylpropan-2-amine
PubChem CID22689565
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(2S)-1-phenyl-3-pyrrolidin-1-ylpropan-2-amine
SMILESN[C@@H](Cc1ccccc1)CN1CCCC1
InChIInChI=1S/C13H20N2/c14-13(11-15-8-4-5-9-15)10-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,14H2/t13-/m0/s1
InChIKeyYDLCAQYNXGDYTM-ZDUSSCGKSA-N
XLogP1.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenyl-3-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of (2S)-1-phenyl-3-pyrrolidin-1-ylpropan-2-amine (CID 22689565) is (2S)-1-phenyl-3-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for (2S)-1-phenyl-3-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for (2S)-1-phenyl-3-pyrrolidin-1-ylpropan-2-amine is N[C@@H](Cc1ccccc1)CN1CCCC1.
What is the InChIKey of (2S)-1-phenyl-3-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is YDLCAQYNXGDYTM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N2/c14-13(11-15-8-4-5-9-15)10-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,14H2/t13-/m0/s1.
What are the key properties of (2S)-1-phenyl-3-pyrrolidin-1-ylpropan-2-amine?
(2S)-1-phenyl-3-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 204.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenyl-3-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 22689565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).