1-(2-ethoxyphenyl)-5,5-dimethylpyrrolidin-3-ol

C14H21NO2 — CID 117017964

IUPAC1-(2-ethoxyphenyl)-5,5-dimethylpyrrolidin-3-ol
SMILESCCOc1ccccc1N1CC(O)CC1(C)C
InChIInChI=1S/C14H21NO2/c1-4-17-13-8-6-5-7-12(13)15-10-11(16)9-14(15,2)3/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyGCMAQPXUWBTNSM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.43
Rot. Bonds3

About 1-(2-ethoxyphenyl)-5,5-dimethylpyrrolidin-3-ol

1-(2-ethoxyphenyl)-5,5-dimethylpyrrolidin-3-ol (PubChem CID 117017964) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-5,5-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-5,5-dimethylpyrrolidin-3-ol
PubChem CID117017964
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(2-ethoxyphenyl)-5,5-dimethylpyrrolidin-3-ol
SMILESCCOc1ccccc1N1CC(O)CC1(C)C
InChIInChI=1S/C14H21NO2/c1-4-17-13-8-6-5-7-12(13)15-10-11(16)9-14(15,2)3/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyGCMAQPXUWBTNSM-UHFFFAOYSA-N
XLogP2.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-ethoxyphenyl)-6,6-dimethylpiperidin-3-yl]methanamine
CID 117021543
1-(2-ethoxyphenyl)-6,6-dimethylpiperidine-3-carbonitrile
CID 117021196
methyl 1-(2-ethoxyphenyl)aziridine-2-carboxylate
CID 117009920
1-(2-ethoxyphenyl)-2,2-dimethyl-1,5-diazocane
CID 117014837
3-(2-ethoxyphenyl)-3-methylcyclopentan-1-ol
CID 116540045
N-[[1-(2-ethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792876
1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one
CID 129259594
2-(2-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid
CID 82114339
2-[1-(2-ethoxyphenyl)pyrrolidin-3-yl]ethanol
CID 117028471
(3S)-1-(2-ethoxyphenyl)-N',N'-dimethyl-5-oxopyrrolidine-3-carbohydrazide
CID 9164078
1-(2-ethoxyphenyl)-5,5-diethyl-2-methylpiperazine
CID 64931392
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-ethoxyphenoxy)ethanone
CID 106671784

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-5,5-dimethylpyrrolidin-3-ol?
The IUPAC name of 1-(2-ethoxyphenyl)-5,5-dimethylpyrrolidin-3-ol (CID 117017964) is 1-(2-ethoxyphenyl)-5,5-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 1-(2-ethoxyphenyl)-5,5-dimethylpyrrolidin-3-ol?
The canonical SMILES for 1-(2-ethoxyphenyl)-5,5-dimethylpyrrolidin-3-ol is CCOc1ccccc1N1CC(O)CC1(C)C.
What is the InChIKey of 1-(2-ethoxyphenyl)-5,5-dimethylpyrrolidin-3-ol?
The InChIKey is GCMAQPXUWBTNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-17-13-8-6-5-7-12(13)15-10-11(16)9-14(15,2)3/h5-8,11,16H,4,9-10H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-5,5-dimethylpyrrolidin-3-ol?
1-(2-ethoxyphenyl)-5,5-dimethylpyrrolidin-3-ol has a molecular weight of 235.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-5,5-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 117017964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).