1-(3,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-ol

C14H21NO — CID 117017933

IUPAC1-(3,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-ol
SMILESCc1cc(C)cc(N2CC(O)CC2(C)C)c1
InChIInChI=1S/C14H21NO/c1-10-5-11(2)7-12(6-10)15-9-13(16)8-14(15,3)4/h5-7,13,16H,8-9H2,1-4H3
InChIKeyOBXRXAIGIMGBLP-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.65
Rot. Bonds1

About 1-(3,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-ol

1-(3,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-ol (PubChem CID 117017933) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-ol
PubChem CID117017933
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(3,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-ol
SMILESCc1cc(C)cc(N2CC(O)CC2(C)C)c1
InChIInChI=1S/C14H21NO/c1-10-5-11(2)7-12(6-10)15-9-13(16)8-14(15,3)4/h5-7,13,16H,8-9H2,1-4H3
InChIKeyOBXRXAIGIMGBLP-UHFFFAOYSA-N
XLogP2.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4,6-dimethylphenyl)-5,5-dimethylpyrrolidin-3-ol
CID 117017956
1-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]-N-methylmethanamine
CID 117020768
2-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanol
CID 117020439
1-(3,4-dimethylphenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018211
1-(3,5-dimethylphenyl)-2,2-dimethylpiperidine-3-carboxylic acid
CID 117019445
4-[[2-(3,5-dimethylphenyl)-6-hydroxy-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7a-yl]methyl]benzonitrile
CID 71054282
1-(4-chlorophenyl)-6,6-dimethylpiperidin-3-ol
CID 117020860
1-(2-ethoxyphenyl)-5,5-dimethylpyrrolidin-3-ol
CID 117017964
1-(4-bromo-3-methylphenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018261
CID 171375446
CID 171375446
(1R,5S)-3-(3,5-dimethylphenyl)-1-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 118585899
2-[5,5-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]acetonitrile
CID 117018606

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-ol?
The IUPAC name of 1-(3,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-ol (CID 117017933) is 1-(3,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-ol?
The canonical SMILES for 1-(3,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-ol is Cc1cc(C)cc(N2CC(O)CC2(C)C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-ol?
The InChIKey is OBXRXAIGIMGBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-5-11(2)7-12(6-10)15-9-13(16)8-14(15,3)4/h5-7,13,16H,8-9H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-ol?
1-(3,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-ol has a molecular weight of 219.33 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 117017933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).