1-methyl-3-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol

C15H23NO — CID 65146674

IUPAC1-methyl-3-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol
SMILESCC(C)c1ccc(CC2(O)CCN(C)C2)cc1
InChIInChI=1S/C15H23NO/c1-12(2)14-6-4-13(5-7-14)10-15(17)8-9-16(3)11-15/h4-7,12,17H,8-11H2,1-3H3
InChIKeyFJNQCMCXZUKBCP-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.42
Rot. Bonds3

About 1-methyl-3-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol

1-methyl-3-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol (PubChem CID 65146674) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-methyl-3-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-methyl-3-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol
PubChem CID65146674
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-methyl-3-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol
SMILESCC(C)c1ccc(CC2(O)CCN(C)C2)cc1
InChIInChI=1S/C15H23NO/c1-12(2)14-6-4-13(5-7-14)10-15(17)8-9-16(3)11-15/h4-7,12,17H,8-11H2,1-3H3
InChIKeyFJNQCMCXZUKBCP-UHFFFAOYSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-bromophenyl)methyl]-1-methylpiperidin-4-ol
CID 60893357
3-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolidin-3-ol
CID 65146298
1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 62976161
4-[(4-tert-butylphenyl)methyl]-1-methylpiperidin-4-ol
CID 65146689
3-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol
CID 65146833
4-tert-butyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol
CID 65147785
3,4-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol
CID 65154218
1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 65153807
1-[(4-propan-2-ylphenyl)methyl]-4-propylcyclohexan-1-ol
CID 65147469
1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(1S)-1-(4-propan-2-ylphenyl)ethyl]urea
CID 124506381
4-[(4-propan-2-ylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365757
3-[(2,5-dimethylphenyl)methyl]-1-methylpyrrolidin-3-ol
CID 62977270

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-methyl-3-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol (CID 65146674) is 1-methyl-3-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-methyl-3-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-methyl-3-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol is CC(C)c1ccc(CC2(O)CCN(C)C2)cc1.
What is the InChIKey of 1-methyl-3-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol?
The InChIKey is FJNQCMCXZUKBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(2)14-6-4-13(5-7-14)10-15(17)8-9-16(3)11-15/h4-7,12,17H,8-11H2,1-3H3.
What are the key properties of 1-methyl-3-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol?
1-methyl-3-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol has a molecular weight of 233.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 65146674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).