2,3,5-trimethyl-4-pyrrolidin-2-ylphenol

C13H19NO — CID 117116773

IUPAC2,3,5-trimethyl-4-pyrrolidin-2-ylphenol
SMILESCc1cc(O)c(C)c(C)c1C1CCCN1
InChIInChI=1S/C13H19NO/c1-8-7-12(15)9(2)10(3)13(8)11-5-4-6-14-11/h7,11,14-15H,4-6H2,1-3H3
InChIKeyAMYDKUVVIYHCRK-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.74
Rot. Bonds1

About 2,3,5-trimethyl-4-pyrrolidin-2-ylphenol

2,3,5-trimethyl-4-pyrrolidin-2-ylphenol (PubChem CID 117116773) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2,3,5-trimethyl-4-pyrrolidin-2-ylphenol.

Molecular Properties

Compound Name2,3,5-trimethyl-4-pyrrolidin-2-ylphenol
PubChem CID117116773
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2,3,5-trimethyl-4-pyrrolidin-2-ylphenol
SMILESCc1cc(O)c(C)c(C)c1C1CCCN1
InChIInChI=1S/C13H19NO/c1-8-7-12(15)9(2)10(3)13(8)11-5-4-6-14-11/h7,11,14-15H,4-6H2,1-3H3
InChIKeyAMYDKUVVIYHCRK-UHFFFAOYSA-N
XLogP2.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxy-2,3,6-trimethylphenyl)pyrrolidine
CID 116962291
3,6-dimethyl-2-[(2S)-pyrrolidin-2-yl]phenol
CID 96751347
3-chloro-4-methyl-2-pyrrolidin-2-ylphenol
CID 84782064
3-chloro-5-methyl-2-pyrrolidin-2-ylphenol
CID 84782063
2-methyl-4-pyrrolidin-2-ylphenol
CID 55283669
3-bromo-5-methyl-2-piperidin-2-ylphenol
CID 84808995
2,3,5-trimethyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117118250
4-chloro-2,6-dimethyl-3-piperidin-2-ylphenol
CID 117352288
6-chloro-3-fluoro-4-methyl-2-pyrrolidin-2-ylphenol
CID 84793255
(2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride
CID 171195444
3-chloro-2-methyl-5-piperidin-2-ylphenol
CID 84790686
5-methyl-2-pyrrolidin-2-ylphenol
CID 55283329

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-4-pyrrolidin-2-ylphenol?
The IUPAC name of 2,3,5-trimethyl-4-pyrrolidin-2-ylphenol (CID 117116773) is 2,3,5-trimethyl-4-pyrrolidin-2-ylphenol.
What is the SMILES notation for 2,3,5-trimethyl-4-pyrrolidin-2-ylphenol?
The canonical SMILES for 2,3,5-trimethyl-4-pyrrolidin-2-ylphenol is Cc1cc(O)c(C)c(C)c1C1CCCN1.
What is the InChIKey of 2,3,5-trimethyl-4-pyrrolidin-2-ylphenol?
The InChIKey is AMYDKUVVIYHCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-8-7-12(15)9(2)10(3)13(8)11-5-4-6-14-11/h7,11,14-15H,4-6H2,1-3H3.
What are the key properties of 2,3,5-trimethyl-4-pyrrolidin-2-ylphenol?
2,3,5-trimethyl-4-pyrrolidin-2-ylphenol has a molecular weight of 205.30 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-4-pyrrolidin-2-ylphenol is sourced from PubChem (CID 117116773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).