3-(3-ethoxyphenyl)-2,2-dimethylpyrrolidine

C14H21NO — CID 62354565

IUPAC3-(3-ethoxyphenyl)-2,2-dimethylpyrrolidine
SMILESCCOc1cccc(C2CCNC2(C)C)c1
InChIInChI=1S/C14H21NO/c1-4-16-12-7-5-6-11(10-12)13-8-9-15-14(13,2)3/h5-7,10,13,15H,4,8-9H2,1-3H3
InChIKeyIRCYKCLPHRMCGP-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.94
Rot. Bonds3

About 3-(3-ethoxyphenyl)-2,2-dimethylpyrrolidine

3-(3-ethoxyphenyl)-2,2-dimethylpyrrolidine (PubChem CID 62354565) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-2,2-dimethylpyrrolidine
PubChem CID62354565
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(3-ethoxyphenyl)-2,2-dimethylpyrrolidine
SMILESCCOc1cccc(C2CCNC2(C)C)c1
InChIInChI=1S/C14H21NO/c1-4-16-12-7-5-6-11(10-12)13-8-9-15-14(13,2)3/h5-7,10,13,15H,4,8-9H2,1-3H3
InChIKeyIRCYKCLPHRMCGP-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methoxyphenyl)-2,2-dimethylpyrrolidine;hydrochloride
CID 170914264
3-(3-ethoxyphenyl)pyrrolidine
CID 62064360
4-(3-ethoxyphenyl)-5,5-dimethylpyrrolidin-2-one
CID 66107639
3-(3-ethoxyphenyl)pyrrolidine;hydrochloride
CID 169498382
3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-one
CID 81415089
3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-ol
CID 81415009
(3R)-2,2-dimethyl-3-phenylpyrrolidine
CID 94411574
2-(3-ethoxyphenyl)-3-ethylpyrrolidine
CID 64689256
3-(3-ethoxyphenyl)-2-ethyl-2-methylcyclobutan-1-one
CID 81415576
7-(3-ethoxyphenyl)-1-methyl-1,4-diazepane
CID 82290812
N-[(3-ethoxyphenyl)methyl]-3,5-dimethyladamantan-1-amine
CID 4717237
3-(3-ethoxyphenyl)-2-(2-methylpropyl)pyrrolidine
CID 62763617

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-2,2-dimethylpyrrolidine?
The IUPAC name of 3-(3-ethoxyphenyl)-2,2-dimethylpyrrolidine (CID 62354565) is 3-(3-ethoxyphenyl)-2,2-dimethylpyrrolidine.
What is the SMILES notation for 3-(3-ethoxyphenyl)-2,2-dimethylpyrrolidine?
The canonical SMILES for 3-(3-ethoxyphenyl)-2,2-dimethylpyrrolidine is CCOc1cccc(C2CCNC2(C)C)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-2,2-dimethylpyrrolidine?
The InChIKey is IRCYKCLPHRMCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-16-12-7-5-6-11(10-12)13-8-9-15-14(13,2)3/h5-7,10,13,15H,4,8-9H2,1-3H3.
What are the key properties of 3-(3-ethoxyphenyl)-2,2-dimethylpyrrolidine?
3-(3-ethoxyphenyl)-2,2-dimethylpyrrolidine has a molecular weight of 219.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-2,2-dimethylpyrrolidine is sourced from PubChem (CID 62354565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).