(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol

C15H23NO2 — CID 78933445

IUPAC(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C15H23NO2/c1-2-15(17)13-5-7-14(8-6-13)18-12-11-16-9-3-4-10-16/h5-8,15,17H,2-4,9-12H2,1H3/t15-/m0/s1
InChIKeyWYMAKSJGETUAAX-HNNXBMFYSA-N
MW249.35 g/mol
LogP2.60
Rot. Bonds6

About (1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol

(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol (PubChem CID 78933445) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol
PubChem CID78933445
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C15H23NO2/c1-2-15(17)13-5-7-14(8-6-13)18-12-11-16-9-3-4-10-16/h5-8,15,17H,2-4,9-12H2,1H3/t15-/m0/s1
InChIKeyWYMAKSJGETUAAX-HNNXBMFYSA-N
XLogP2.60
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propan-1-ol
CID 82891639
(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
CID 78937096
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
1-[2-(4-butan-2-ylphenoxy)ethyl]piperidine;oxalic acid
CID 2923057
(4-chlorophenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 23553296
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
2-hydroxy-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
CID 139930605
CID 161147503
CID 161147503
(2S)-2-amino-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 66515465
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
1-[4-(5-pyrrolidin-1-ylpentoxy)phenyl]ethanol
CID 11857382
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol (CID 78933445) is (1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol is CC[C@H](O)c1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of (1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol?
The InChIKey is WYMAKSJGETUAAX-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-15(17)13-5-7-14(8-6-13)18-12-11-16-9-3-4-10-16/h5-8,15,17H,2-4,9-12H2,1H3/t15-/m0/s1.
What are the key properties of (1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol?
(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 78933445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).