6-ethyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol

C15H23NO — CID 84697064

IUPAC6-ethyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol
SMILESCCc1ccc(C(C)C)c(C2CCCN2)c1O
InChIInChI=1S/C15H23NO/c1-4-11-7-8-12(10(2)3)14(15(11)17)13-6-5-9-16-13/h7-8,10,13,16-17H,4-6,9H2,1-3H3
InChIKeyCBLLCAFDGRVSFA-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.50
Rot. Bonds3

About 6-ethyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol

6-ethyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol (PubChem CID 84697064) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 6-ethyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol.

Molecular Properties

Compound Name6-ethyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol
PubChem CID84697064
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name6-ethyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol
SMILESCCc1ccc(C(C)C)c(C2CCCN2)c1O
InChIInChI=1S/C15H23NO/c1-4-11-7-8-12(10(2)3)14(15(11)17)13-6-5-9-16-13/h7-8,10,13,16-17H,4-6,9H2,1-3H3
InChIKeyCBLLCAFDGRVSFA-UHFFFAOYSA-N
XLogP3.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

6-methyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol
CID 84684983
2-propan-2-yl-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518911
3,6-dimethyl-2-[(2S)-pyrrolidin-2-yl]phenol
CID 96751347
2-(5-chloro-2-ethylphenyl)pyrrolidine
CID 84677413
2-(2-ethyl-6-fluorophenyl)pyrrolidine
CID 55295804
2-(piperidin-2-ylmethyl)-3,6-di(propan-2-yl)phenol
CID 117441122
2-[(2S)-azetidin-2-yl]-6-ethylphenol
CID 130780797
(2,5-diethylphenyl)-pyrrolidin-2-ylmethanol
CID 64866398
2-[(2R)-piperidin-2-yl]benzene-1,3-diol
CID 130679710
2-[1-(aminomethyl)cyclohexyl]-6-ethyl-3-propan-2-ylphenol
CID 117441154
2-hydroxy-4-methyl-3-[(2R)-pyrrolidin-2-yl]benzoic acid
CID 66519490
2-(3-fluoro-4-propan-2-ylphenyl)piperidine
CID 84788156

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol?
The IUPAC name of 6-ethyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol (CID 84697064) is 6-ethyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol.
What is the SMILES notation for 6-ethyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol?
The canonical SMILES for 6-ethyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol is CCc1ccc(C(C)C)c(C2CCCN2)c1O.
What is the InChIKey of 6-ethyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol?
The InChIKey is CBLLCAFDGRVSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-11-7-8-12(10(2)3)14(15(11)17)13-6-5-9-16-13/h7-8,10,13,16-17H,4-6,9H2,1-3H3.
What are the key properties of 6-ethyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol?
6-ethyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol has a molecular weight of 233.35 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol is sourced from PubChem (CID 84697064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).