2-methyl-4-(4-pyrrolidin-2-ylphenyl)butan-2-ol

C15H23NO — CID 117116746

IUPAC2-methyl-4-(4-pyrrolidin-2-ylphenyl)butan-2-ol
SMILESCC(C)(O)CCc1ccc(C2CCCN2)cc1
InChIInChI=1S/C15H23NO/c1-15(2,17)10-9-12-5-7-13(8-6-12)14-4-3-11-16-14/h5-8,14,16-17H,3-4,9-11H2,1-2H3
InChIKeyRQXDWZPOYDGKAK-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.81
Rot. Bonds4

About 2-methyl-4-(4-pyrrolidin-2-ylphenyl)butan-2-ol

2-methyl-4-(4-pyrrolidin-2-ylphenyl)butan-2-ol (PubChem CID 117116746) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-methyl-4-(4-pyrrolidin-2-ylphenyl)butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-(4-pyrrolidin-2-ylphenyl)butan-2-ol
PubChem CID117116746
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-methyl-4-(4-pyrrolidin-2-ylphenyl)butan-2-ol
SMILESCC(C)(O)CCc1ccc(C2CCCN2)cc1
InChIInChI=1S/C15H23NO/c1-15(2,17)10-9-12-5-7-13(8-6-12)14-4-3-11-16-14/h5-8,14,16-17H,3-4,9-11H2,1-2H3
InChIKeyRQXDWZPOYDGKAK-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3-methoxy-3-methylbutyl)phenyl]pyrrolidine
CID 117116747
2-[4-(5,5-dimethylhexyl)phenyl]pyrrolidine;2-methylpropane
CID 166169217
2-methyl-4-(4-pyrrolidin-3-ylphenyl)butan-2-ol
CID 117116636
2-[4-(2-methoxy-2-methylpropyl)phenyl]pyrrolidine
CID 117116726
(2R)-2-(4-benzylphenyl)pyrrolidine
CID 66519680
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
1-[(4-pyrrolidin-2-ylphenyl)methyl]piperidine
CID 58597255
2-[4-(3-fluoropropyl)phenyl]piperidine
CID 117316921
methyl 2-(4-pyrrolidin-2-ylphenyl)acetate
CID 70987357
methyl 2-[4-[(2R)-pyrrolidin-2-yl]phenyl]acetate
CID 66518883
2-(4-tert-butylphenyl)piperidine
CID 4137790
1-[(4-pyrrolidin-2-ylphenyl)methyl]piperazine
CID 117366264

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-pyrrolidin-2-ylphenyl)butan-2-ol?
The IUPAC name of 2-methyl-4-(4-pyrrolidin-2-ylphenyl)butan-2-ol (CID 117116746) is 2-methyl-4-(4-pyrrolidin-2-ylphenyl)butan-2-ol.
What is the SMILES notation for 2-methyl-4-(4-pyrrolidin-2-ylphenyl)butan-2-ol?
The canonical SMILES for 2-methyl-4-(4-pyrrolidin-2-ylphenyl)butan-2-ol is CC(C)(O)CCc1ccc(C2CCCN2)cc1.
What is the InChIKey of 2-methyl-4-(4-pyrrolidin-2-ylphenyl)butan-2-ol?
The InChIKey is RQXDWZPOYDGKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2,17)10-9-12-5-7-13(8-6-12)14-4-3-11-16-14/h5-8,14,16-17H,3-4,9-11H2,1-2H3.
What are the key properties of 2-methyl-4-(4-pyrrolidin-2-ylphenyl)butan-2-ol?
2-methyl-4-(4-pyrrolidin-2-ylphenyl)butan-2-ol has a molecular weight of 233.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-pyrrolidin-2-ylphenyl)butan-2-ol is sourced from PubChem (CID 117116746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).