2-methyl-1-[3-(2-methylpyrrolidin-2-yl)phenyl]propan-2-ol

C15H23NO — CID 117116844

IUPAC2-methyl-1-[3-(2-methylpyrrolidin-2-yl)phenyl]propan-2-ol
SMILESCC(C)(O)Cc1cccc(C2(C)CCCN2)c1
InChIInChI=1S/C15H23NO/c1-14(2,17)11-12-6-4-7-13(10-12)15(3)8-5-9-16-15/h4,6-7,10,16-17H,5,8-9,11H2,1-3H3
InChIKeyHBFBCTAFABQMQV-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.60
Rot. Bonds3

About 2-methyl-1-[3-(2-methylpyrrolidin-2-yl)phenyl]propan-2-ol

2-methyl-1-[3-(2-methylpyrrolidin-2-yl)phenyl]propan-2-ol (PubChem CID 117116844) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-methyl-1-[3-(2-methylpyrrolidin-2-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[3-(2-methylpyrrolidin-2-yl)phenyl]propan-2-ol
PubChem CID117116844
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-methyl-1-[3-(2-methylpyrrolidin-2-yl)phenyl]propan-2-ol
SMILESCC(C)(O)Cc1cccc(C2(C)CCCN2)c1
InChIInChI=1S/C15H23NO/c1-14(2,17)11-12-6-4-7-13(10-12)15(3)8-5-9-16-15/h4,6-7,10,16-17H,5,8-9,11H2,1-3H3
InChIKeyHBFBCTAFABQMQV-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine
CID 117351180
2-[3-(2-fluoropropyl)phenyl]-2-methylpyrrolidine
CID 117316899
1-[[3-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine
CID 117400052
1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-2-ol
CID 117113390
2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpyrrolidine
CID 117116875
2-[4-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine
CID 117351181
2-(3-methoxyphenyl)-2-methylpiperidine
CID 83532633
2-methyl-2-phenylpiperidine;hydrochloride
CID 115027708
4-(2-methylpyrrolidin-2-yl)phenol
CID 82599572
2-methyl-2-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine
CID 117335142
2-(2-methylpropyl)-2-(3-propylphenyl)pyrrolidine
CID 116544640
1-[3-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-2-ol
CID 117111965

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(2-methylpyrrolidin-2-yl)phenyl]propan-2-ol?
The IUPAC name of 2-methyl-1-[3-(2-methylpyrrolidin-2-yl)phenyl]propan-2-ol (CID 117116844) is 2-methyl-1-[3-(2-methylpyrrolidin-2-yl)phenyl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[3-(2-methylpyrrolidin-2-yl)phenyl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[3-(2-methylpyrrolidin-2-yl)phenyl]propan-2-ol is CC(C)(O)Cc1cccc(C2(C)CCCN2)c1.
What is the InChIKey of 2-methyl-1-[3-(2-methylpyrrolidin-2-yl)phenyl]propan-2-ol?
The InChIKey is HBFBCTAFABQMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-14(2,17)11-12-6-4-7-13(10-12)15(3)8-5-9-16-15/h4,6-7,10,16-17H,5,8-9,11H2,1-3H3.
What are the key properties of 2-methyl-1-[3-(2-methylpyrrolidin-2-yl)phenyl]propan-2-ol?
2-methyl-1-[3-(2-methylpyrrolidin-2-yl)phenyl]propan-2-ol has a molecular weight of 233.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(2-methylpyrrolidin-2-yl)phenyl]propan-2-ol is sourced from PubChem (CID 117116844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).