[2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanol

C13H19NO — CID 117021973

IUPAC[2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanol
SMILESCc1ccc(N2CCC(CO)C2C)cc1
InChIInChI=1S/C13H19NO/c1-10-3-5-13(6-4-10)14-8-7-12(9-15)11(14)2/h3-6,11-12,15H,7-9H2,1-2H3
InChIKeyNEZAAPMHMAUHAR-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.20
Rot. Bonds2

About [2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanol

[2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanol (PubChem CID 117021973) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanol
PubChem CID117021973
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanol
SMILESCc1ccc(N2CCC(CO)C2C)cc1
InChIInChI=1S/C13H19NO/c1-10-3-5-13(6-4-10)14-8-7-12(9-15)11(14)2/h3-6,11-12,15H,7-9H2,1-2H3
InChIKeyNEZAAPMHMAUHAR-UHFFFAOYSA-N
XLogP2.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanol (CID 117021973) is [2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanol is Cc1ccc(N2CCC(CO)C2C)cc1.
What is the InChIKey of [2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanol?
The InChIKey is NEZAAPMHMAUHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-3-5-13(6-4-10)14-8-7-12(9-15)11(14)2/h3-6,11-12,15H,7-9H2,1-2H3.
What are the key properties of [2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanol?
[2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanol has a molecular weight of 205.30 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 117021973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).