3-(3-ethoxyphenyl)pyrrolidine

C12H17NO — CID 62064360

IUPAC3-(3-ethoxyphenyl)pyrrolidine
SMILESCCOc1cccc(C2CCNC2)c1
InChIInChI=1S/C12H17NO/c1-2-14-12-5-3-4-10(8-12)11-6-7-13-9-11/h3-5,8,11,13H,2,6-7,9H2,1H3
InChIKeyFXADNCSEGSPDAP-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.16
Rot. Bonds3

About 3-(3-ethoxyphenyl)pyrrolidine

3-(3-ethoxyphenyl)pyrrolidine (PubChem CID 62064360) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)pyrrolidine
PubChem CID62064360
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-(3-ethoxyphenyl)pyrrolidine
SMILESCCOc1cccc(C2CCNC2)c1
InChIInChI=1S/C12H17NO/c1-2-14-12-5-3-4-10(8-12)11-6-7-13-9-11/h3-5,8,11,13H,2,6-7,9H2,1H3
InChIKeyFXADNCSEGSPDAP-UHFFFAOYSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-ethoxyphenyl)pyrrolidine;hydrochloride
CID 169498382
3-[3-(3,3-difluoropropoxy)phenyl]pyrrolidine
CID 84702599
3-(3-pyrrolidin-3-ylphenoxy)propanoic acid
CID 115040765
(3S)-3-(3-ethylphenyl)pyrrolidine
CID 130943916
3-[3-(2-fluoroethoxy)phenyl]piperidine
CID 84688599
3-(3-ethoxyphenyl)-2,2-dimethylpyrrolidine
CID 62354565
3-(3-butoxyphenyl)azetidine
CID 174622804
2-(3-ethoxyphenyl)-3-ethylpyrrolidine
CID 64689256
3-(3-ethoxy-4-methoxyphenyl)pyrrolidine
CID 116989297
2-(3-piperidin-3-ylphenoxy)acetic acid
CID 115040761
7-(3-ethoxyphenyl)-1-methyl-1,4-diazepane
CID 82290812
(3-ethoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568424

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)pyrrolidine?
The IUPAC name of 3-(3-ethoxyphenyl)pyrrolidine (CID 62064360) is 3-(3-ethoxyphenyl)pyrrolidine.
What is the SMILES notation for 3-(3-ethoxyphenyl)pyrrolidine?
The canonical SMILES for 3-(3-ethoxyphenyl)pyrrolidine is CCOc1cccc(C2CCNC2)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)pyrrolidine?
The InChIKey is FXADNCSEGSPDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-14-12-5-3-4-10(8-12)11-6-7-13-9-11/h3-5,8,11,13H,2,6-7,9H2,1H3.
What are the key properties of 3-(3-ethoxyphenyl)pyrrolidine?
3-(3-ethoxyphenyl)pyrrolidine has a molecular weight of 191.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)pyrrolidine is sourced from PubChem (CID 62064360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).