3-(3-ethoxyphenyl)pyrrolidine;hydrochloride

C12H18ClNO — CID 169498382

IUPAC3-(3-ethoxyphenyl)pyrrolidine;hydrochloride
SMILESCCOc1cccc(C2CCNC2)c1.Cl
InChIInChI=1S/C12H17NO.ClH/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;1H
InChIKeyFBVQPOGLNOKGEK-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.58
Rot. Bonds3

About 3-(3-ethoxyphenyl)pyrrolidine;hydrochloride

3-(3-ethoxyphenyl)pyrrolidine;hydrochloride (PubChem CID 169498382) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)pyrrolidine;hydrochloride
PubChem CID169498382
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name3-(3-ethoxyphenyl)pyrrolidine;hydrochloride
SMILESCCOc1cccc(C2CCNC2)c1.Cl
InChIInChI=1S/C12H17NO.ClH/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;1H
InChIKeyFBVQPOGLNOKGEK-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-ethoxyphenyl)pyrrolidine
CID 62064360
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;hydrochloride?
The IUPAC name of 3-(3-ethoxyphenyl)pyrrolidine;hydrochloride (CID 169498382) is 3-(3-ethoxyphenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(3-ethoxyphenyl)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(3-ethoxyphenyl)pyrrolidine;hydrochloride is CCOc1cccc(C2CCNC2)c1.Cl.
What is the InChIKey of 3-(3-ethoxyphenyl)pyrrolidine;hydrochloride?
The InChIKey is FBVQPOGLNOKGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/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;1H.
What are the key properties of 3-(3-ethoxyphenyl)pyrrolidine;hydrochloride?
3-(3-ethoxyphenyl)pyrrolidine;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 2.58, 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;hydrochloride is sourced from PubChem (CID 169498382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).