2-methyl-4-(2-methyl-3-pyrrolidin-1-ylpropyl)phenol

C15H23NO — CID 143865960

IUPAC2-methyl-4-(2-methyl-3-pyrrolidin-1-ylpropyl)phenol
SMILESCc1cc(CC(C)CN2CCCC2)ccc1O
InChIInChI=1S/C15H23NO/c1-12(11-16-7-3-4-8-16)9-14-5-6-15(17)13(2)10-14/h5-6,10,12,17H,3-4,7-9,11H2,1-2H3
InChIKeyGIOZTMMPMMPWEB-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.98
Rot. Bonds4

About 2-methyl-4-(2-methyl-3-pyrrolidin-1-ylpropyl)phenol

2-methyl-4-(2-methyl-3-pyrrolidin-1-ylpropyl)phenol (PubChem CID 143865960) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-methyl-4-(2-methyl-3-pyrrolidin-1-ylpropyl)phenol.

Molecular Properties

Compound Name2-methyl-4-(2-methyl-3-pyrrolidin-1-ylpropyl)phenol
PubChem CID143865960
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-methyl-4-(2-methyl-3-pyrrolidin-1-ylpropyl)phenol
SMILESCc1cc(CC(C)CN2CCCC2)ccc1O
InChIInChI=1S/C15H23NO/c1-12(11-16-7-3-4-8-16)9-14-5-6-15(17)13(2)10-14/h5-6,10,12,17H,3-4,7-9,11H2,1-2H3
InChIKeyGIOZTMMPMMPWEB-UHFFFAOYSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3-fluoro-4-methylphenyl)-2-methylpropyl]piperidine
CID 135225472
1-[3-(3,4-dimethylphenyl)-2-methylpropyl]piperazine
CID 82118543
1-[3-(4-ethylphenyl)-2-methylpropyl]piperidine
CID 139561533
5-(4-hydroxy-3-methylphenyl)-4-methylpentan-2-one
CID 83922980
4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]benzene-1,2-diol
CID 60957707
4-[2-[4-[1-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propyl]-2-methylphenol
CID 172761768
2-methyl-2-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]propan-1-ol
CID 139596448
1-[3-(3-ethoxy-4-methoxyphenyl)-2-methylpropyl]piperidine
CID 135225295
4-(4-hydroxy-3-methylphenyl)-3-methylbutan-2-one
CID 58867976
4-(2-amino-4-methylpentyl)-2-methylphenol
CID 178163187
dimethyl-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]-phenylsilane
CID 13292194
4-[4-amino-3-(aminomethyl)-2-methylbutyl]-2-methylphenol
CID 83922952

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methyl-3-pyrrolidin-1-ylpropyl)phenol?
The IUPAC name of 2-methyl-4-(2-methyl-3-pyrrolidin-1-ylpropyl)phenol (CID 143865960) is 2-methyl-4-(2-methyl-3-pyrrolidin-1-ylpropyl)phenol.
What is the SMILES notation for 2-methyl-4-(2-methyl-3-pyrrolidin-1-ylpropyl)phenol?
The canonical SMILES for 2-methyl-4-(2-methyl-3-pyrrolidin-1-ylpropyl)phenol is Cc1cc(CC(C)CN2CCCC2)ccc1O.
What is the InChIKey of 2-methyl-4-(2-methyl-3-pyrrolidin-1-ylpropyl)phenol?
The InChIKey is GIOZTMMPMMPWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(11-16-7-3-4-8-16)9-14-5-6-15(17)13(2)10-14/h5-6,10,12,17H,3-4,7-9,11H2,1-2H3.
What are the key properties of 2-methyl-4-(2-methyl-3-pyrrolidin-1-ylpropyl)phenol?
2-methyl-4-(2-methyl-3-pyrrolidin-1-ylpropyl)phenol has a molecular weight of 233.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methyl-3-pyrrolidin-1-ylpropyl)phenol is sourced from PubChem (CID 143865960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).