1-(2-pyrrolidin-1-ylphenyl)propan-1-ol

C13H19NO — CID 112678754

IUPAC1-(2-pyrrolidin-1-ylphenyl)propan-1-ol
SMILESCCC(O)c1ccccc1N1CCCC1
InChIInChI=1S/C13H19NO/c1-2-13(15)11-7-3-4-8-12(11)14-9-5-6-10-14/h3-4,7-8,13,15H,2,5-6,9-10H2,1H3
InChIKeyXEIGDOFBEFHFSS-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.73
Rot. Bonds3

About 1-(2-pyrrolidin-1-ylphenyl)propan-1-ol

1-(2-pyrrolidin-1-ylphenyl)propan-1-ol (PubChem CID 112678754) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(2-pyrrolidin-1-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(2-pyrrolidin-1-ylphenyl)propan-1-ol
PubChem CID112678754
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(2-pyrrolidin-1-ylphenyl)propan-1-ol
SMILESCCC(O)c1ccccc1N1CCCC1
InChIInChI=1S/C13H19NO/c1-2-13(15)11-7-3-4-8-12(11)14-9-5-6-10-14/h3-4,7-8,13,15H,2,5-6,9-10H2,1H3
InChIKeyXEIGDOFBEFHFSS-UHFFFAOYSA-N
XLogP2.73
TPSA23.47 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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-1-ylphenyl)propan-1-ol?
The IUPAC name of 1-(2-pyrrolidin-1-ylphenyl)propan-1-ol (CID 112678754) is 1-(2-pyrrolidin-1-ylphenyl)propan-1-ol.
What is the SMILES notation for 1-(2-pyrrolidin-1-ylphenyl)propan-1-ol?
The canonical SMILES for 1-(2-pyrrolidin-1-ylphenyl)propan-1-ol is CCC(O)c1ccccc1N1CCCC1.
What is the InChIKey of 1-(2-pyrrolidin-1-ylphenyl)propan-1-ol?
The InChIKey is XEIGDOFBEFHFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-13(15)11-7-3-4-8-12(11)14-9-5-6-10-14/h3-4,7-8,13,15H,2,5-6,9-10H2,1H3.
What are the key properties of 1-(2-pyrrolidin-1-ylphenyl)propan-1-ol?
1-(2-pyrrolidin-1-ylphenyl)propan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-1-ylphenyl)propan-1-ol is sourced from PubChem (CID 112678754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).