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

C14H21NO — CID 84684983

IUPAC6-methyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol
SMILESCc1ccc(C(C)C)c(C2CCCN2)c1O
InChIInChI=1S/C14H21NO/c1-9(2)11-7-6-10(3)14(16)13(11)12-5-4-8-15-12/h6-7,9,12,15-16H,4-5,8H2,1-3H3
InChIKeyLZVOQBFXRFRRNW-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.25
Rot. Bonds2

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

6-methyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol (PubChem CID 84684983) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 6-methyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol.

Molecular Properties

Compound Name6-methyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol
PubChem CID84684983
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name6-methyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol
SMILESCc1ccc(C(C)C)c(C2CCCN2)c1O
InChIInChI=1S/C14H21NO/c1-9(2)11-7-6-10(3)14(16)13(11)12-5-4-8-15-12/h6-7,9,12,15-16H,4-5,8H2,1-3H3
InChIKeyLZVOQBFXRFRRNW-UHFFFAOYSA-N
XLogP3.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.25
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

3,6-dimethyl-2-[(2S)-pyrrolidin-2-yl]phenol
CID 96751347
6-ethyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol
CID 84697064
6-methyl-3-nitro-2-[(2R)-pyrrolidin-2-yl]phenol
CID 131336256
3-chloro-4-methyl-2-pyrrolidin-2-ylphenol
CID 84782064
2-propan-2-yl-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518911
2-hydroxy-4-methyl-3-[(2R)-pyrrolidin-2-yl]benzoic acid
CID 66519490
(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine
CID 66518496
(2R)-2-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidine
CID 66518682
6-chloro-3-fluoro-4-methyl-2-pyrrolidin-2-ylphenol
CID 84793255
(2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride
CID 171195444
2,3,5-trimethyl-4-pyrrolidin-2-ylphenol
CID 117116773
2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride
CID 138040825

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol?
The IUPAC name of 6-methyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol (CID 84684983) is 6-methyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol.
What is the SMILES notation for 6-methyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol?
The canonical SMILES for 6-methyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol is Cc1ccc(C(C)C)c(C2CCCN2)c1O.
What is the InChIKey of 6-methyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol?
The InChIKey is LZVOQBFXRFRRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9(2)11-7-6-10(3)14(16)13(11)12-5-4-8-15-12/h6-7,9,12,15-16H,4-5,8H2,1-3H3.
What are the key properties of 6-methyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol?
6-methyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol has a molecular weight of 219.33 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol is sourced from PubChem (CID 84684983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).