5-methyl-2-[1-(2-methylpyrrolidin-1-yl)ethyl]phenol

C14H21NO — CID 82982334

IUPAC5-methyl-2-[1-(2-methylpyrrolidin-1-yl)ethyl]phenol
SMILESCc1ccc(C(C)N2CCCC2C)c(O)c1
InChIInChI=1S/C14H21NO/c1-10-6-7-13(14(16)9-10)12(3)15-8-4-5-11(15)2/h6-7,9,11-12,16H,4-5,8H2,1-3H3
InChIKeyZLIOAEIIPRGFMH-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.25
Rot. Bonds2

About 5-methyl-2-[1-(2-methylpyrrolidin-1-yl)ethyl]phenol

5-methyl-2-[1-(2-methylpyrrolidin-1-yl)ethyl]phenol (PubChem CID 82982334) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-methyl-2-[1-(2-methylpyrrolidin-1-yl)ethyl]phenol.

Molecular Properties

Compound Name5-methyl-2-[1-(2-methylpyrrolidin-1-yl)ethyl]phenol
PubChem CID82982334
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name5-methyl-2-[1-(2-methylpyrrolidin-1-yl)ethyl]phenol
SMILESCc1ccc(C(C)N2CCCC2C)c(O)c1
InChIInChI=1S/C14H21NO/c1-10-6-7-13(14(16)9-10)12(3)15-8-4-5-11(15)2/h6-7,9,11-12,16H,4-5,8H2,1-3H3
InChIKeyZLIOAEIIPRGFMH-UHFFFAOYSA-N
XLogP3.25
TPSA23.47 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-[1-(2-methylazepan-1-yl)ethyl]phenol
CID 82981091
2-[1-(4-tert-butylazepan-1-yl)ethyl]-5-methylphenol
CID 82965233
2-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-5-methylphenol
CID 82977653
2-[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-5-methoxyphenol
CID 82980642
2-[1-(2-cyclopentylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
CID 82956837
5-methyl-2-[1-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]phenol
CID 82961971
5-fluoro-2-[1-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenol
CID 82982794
2-[1-(2-methylazepan-1-yl)ethyl]benzene-1,3-diol
CID 107711969
4-methyl-2-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 113285153
2-[1-(3-methoxy-4-methylpiperidin-1-yl)ethyl]-5-methylphenol
CID 102969229
2-[1-[(2S)-2-methylpyrrolidin-1-yl]ethyl]pyridin-3-ol
CID 148926259
5-methyl-2-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171294351

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-(2-methylpyrrolidin-1-yl)ethyl]phenol?
The IUPAC name of 5-methyl-2-[1-(2-methylpyrrolidin-1-yl)ethyl]phenol (CID 82982334) is 5-methyl-2-[1-(2-methylpyrrolidin-1-yl)ethyl]phenol.
What is the SMILES notation for 5-methyl-2-[1-(2-methylpyrrolidin-1-yl)ethyl]phenol?
The canonical SMILES for 5-methyl-2-[1-(2-methylpyrrolidin-1-yl)ethyl]phenol is Cc1ccc(C(C)N2CCCC2C)c(O)c1.
What is the InChIKey of 5-methyl-2-[1-(2-methylpyrrolidin-1-yl)ethyl]phenol?
The InChIKey is ZLIOAEIIPRGFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-6-7-13(14(16)9-10)12(3)15-8-4-5-11(15)2/h6-7,9,11-12,16H,4-5,8H2,1-3H3.
What are the key properties of 5-methyl-2-[1-(2-methylpyrrolidin-1-yl)ethyl]phenol?
5-methyl-2-[1-(2-methylpyrrolidin-1-yl)ethyl]phenol has a molecular weight of 219.33 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-(2-methylpyrrolidin-1-yl)ethyl]phenol is sourced from PubChem (CID 82982334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).