(2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine

C13H19NO — CID 66518885

IUPAC(2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine
SMILESCC(C)Oc1ccc([C@@H]2CCCN2)cc1
InChIInChI=1S/C13H19NO/c1-10(2)15-12-7-5-11(6-8-12)13-4-3-9-14-13/h5-8,10,13-14H,3-4,9H2,1-2H3/t13-/m0/s1
InChIKeyBWGMKNCDIVTRSI-ZDUSSCGKSA-N
MW205.30 g/mol
LogP2.90
Rot. Bonds3

About (2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine

(2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine (PubChem CID 66518885) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine
PubChem CID66518885
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine
SMILESCC(C)Oc1ccc([C@@H]2CCCN2)cc1
InChIInChI=1S/C13H19NO/c1-10(2)15-12-7-5-11(6-8-12)13-4-3-9-14-13/h5-8,10,13-14H,3-4,9H2,1-2H3/t13-/m0/s1
InChIKeyBWGMKNCDIVTRSI-ZDUSSCGKSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine?
The IUPAC name of (2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine (CID 66518885) is (2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine?
The canonical SMILES for (2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine is CC(C)Oc1ccc([C@@H]2CCCN2)cc1.
What is the InChIKey of (2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine?
The InChIKey is BWGMKNCDIVTRSI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(2)15-12-7-5-11(6-8-12)13-4-3-9-14-13/h5-8,10,13-14H,3-4,9H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine?
(2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine is sourced from PubChem (CID 66518885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).