3-[3-(1,2-dimethoxyethyl)phenyl]pyrrolidine

C14H21NO2 — CID 117343023

IUPAC3-[3-(1,2-dimethoxyethyl)phenyl]pyrrolidine
SMILESCOCC(OC)c1cccc(C2CCNC2)c1
InChIInChI=1S/C14H21NO2/c1-16-10-14(17-2)12-5-3-4-11(8-12)13-6-7-15-9-13/h3-5,8,13-15H,6-7,9-10H2,1-2H3
InChIKeyRABQSTPVDCCECM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.10
Rot. Bonds5

About 3-[3-(1,2-dimethoxyethyl)phenyl]pyrrolidine

3-[3-(1,2-dimethoxyethyl)phenyl]pyrrolidine (PubChem CID 117343023) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[3-(1,2-dimethoxyethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name3-[3-(1,2-dimethoxyethyl)phenyl]pyrrolidine
PubChem CID117343023
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-[3-(1,2-dimethoxyethyl)phenyl]pyrrolidine
SMILESCOCC(OC)c1cccc(C2CCNC2)c1
InChIInChI=1S/C14H21NO2/c1-16-10-14(17-2)12-5-3-4-11(8-12)13-6-7-15-9-13/h3-5,8,13-15H,6-7,9-10H2,1-2H3
InChIKeyRABQSTPVDCCECM-UHFFFAOYSA-N
XLogP2.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1,2-dimethoxyethyl)phenyl]morpholine
CID 117381755
3-(3-propan-2-ylphenyl)pyrrolidine
CID 58484109
2-amino-2-(3-pyrrolidin-3-ylphenyl)ethanol
CID 116988654
3-pyrrolidin-3-ylphenol
CID 12937992
3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine
CID 117116652
(3S)-3-(3-ethylphenyl)pyrrolidine
CID 130943916
3-(3-ethoxyphenyl)pyrrolidine
CID 62064360
3-pyrrolidin-3-ylphenol;hydrochloride
CID 139593330
3-(3-ethoxyphenyl)pyrrolidine;hydrochloride
CID 169498382
methyl 2-(3-piperidin-3-ylphenyl)butanoate
CID 116988779
1-(3-cyclobutylphenyl)-2-methoxy-N-methylethanamine
CID 114602794
3-[3-(3,3-difluoropropoxy)phenyl]pyrrolidine
CID 84702599

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,2-dimethoxyethyl)phenyl]pyrrolidine?
The IUPAC name of 3-[3-(1,2-dimethoxyethyl)phenyl]pyrrolidine (CID 117343023) is 3-[3-(1,2-dimethoxyethyl)phenyl]pyrrolidine.
What is the SMILES notation for 3-[3-(1,2-dimethoxyethyl)phenyl]pyrrolidine?
The canonical SMILES for 3-[3-(1,2-dimethoxyethyl)phenyl]pyrrolidine is COCC(OC)c1cccc(C2CCNC2)c1.
What is the InChIKey of 3-[3-(1,2-dimethoxyethyl)phenyl]pyrrolidine?
The InChIKey is RABQSTPVDCCECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-16-10-14(17-2)12-5-3-4-11(8-12)13-6-7-15-9-13/h3-5,8,13-15H,6-7,9-10H2,1-2H3.
What are the key properties of 3-[3-(1,2-dimethoxyethyl)phenyl]pyrrolidine?
3-[3-(1,2-dimethoxyethyl)phenyl]pyrrolidine has a molecular weight of 235.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,2-dimethoxyethyl)phenyl]pyrrolidine is sourced from PubChem (CID 117343023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).