[4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylphenyl]methanol

C15H23NO — CID 83219086

IUPAC[4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylphenyl]methanol
SMILESCCC1CCC(C)N1c1ccc(CO)c(C)c1
InChIInChI=1S/C15H23NO/c1-4-14-7-5-12(3)16(14)15-8-6-13(10-17)11(2)9-15/h6,8-9,12,14,17H,4-5,7,10H2,1-3H3
InChIKeySRGJIJRSOPLRNS-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.25
Rot. Bonds3

About [4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylphenyl]methanol

[4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylphenyl]methanol (PubChem CID 83219086) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is [4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylphenyl]methanol.

Molecular Properties

Compound Name[4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylphenyl]methanol
PubChem CID83219086
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name[4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylphenyl]methanol
SMILESCCC1CCC(C)N1c1ccc(CO)c(C)c1
InChIInChI=1S/C15H23NO/c1-4-14-7-5-12(3)16(14)15-8-6-13(10-17)11(2)9-15/h6,8-9,12,14,17H,4-5,7,10H2,1-3H3
InChIKeySRGJIJRSOPLRNS-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylphenyl]methanol?
The IUPAC name of [4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylphenyl]methanol (CID 83219086) is [4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylphenyl]methanol.
What is the SMILES notation for [4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylphenyl]methanol?
The canonical SMILES for [4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylphenyl]methanol is CCC1CCC(C)N1c1ccc(CO)c(C)c1.
What is the InChIKey of [4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylphenyl]methanol?
The InChIKey is SRGJIJRSOPLRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-14-7-5-12(3)16(14)15-8-6-13(10-17)11(2)9-15/h6,8-9,12,14,17H,4-5,7,10H2,1-3H3.
What are the key properties of [4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylphenyl]methanol?
[4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylphenyl]methanol has a molecular weight of 233.36 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylphenyl]methanol is sourced from PubChem (CID 83219086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).