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

C13H19NO — CID 117270803

IUPAC[2-methyl-4-(2-methylphenyl)pyrrolidin-2-yl]methanol
SMILESCc1ccccc1C1CNC(C)(CO)C1
InChIInChI=1S/C13H19NO/c1-10-5-3-4-6-12(10)11-7-13(2,9-15)14-8-11/h3-6,11,14-15H,7-9H2,1-2H3
InChIKeySLNLNJUCHVQYNU-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.82
Rot. Bonds2

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

[2-methyl-4-(2-methylphenyl)pyrrolidin-2-yl]methanol (PubChem CID 117270803) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [2-methyl-4-(2-methylphenyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[2-methyl-4-(2-methylphenyl)pyrrolidin-2-yl]methanol
PubChem CID117270803
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[2-methyl-4-(2-methylphenyl)pyrrolidin-2-yl]methanol
SMILESCc1ccccc1C1CNC(C)(CO)C1
InChIInChI=1S/C13H19NO/c1-10-5-3-4-6-12(10)11-7-13(2,9-15)14-8-11/h3-6,11,14-15H,7-9H2,1-2H3
InChIKeySLNLNJUCHVQYNU-UHFFFAOYSA-N
XLogP1.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(2-methylphenyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [2-methyl-4-(2-methylphenyl)pyrrolidin-2-yl]methanol (CID 117270803) is [2-methyl-4-(2-methylphenyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [2-methyl-4-(2-methylphenyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [2-methyl-4-(2-methylphenyl)pyrrolidin-2-yl]methanol is Cc1ccccc1C1CNC(C)(CO)C1.
What is the InChIKey of [2-methyl-4-(2-methylphenyl)pyrrolidin-2-yl]methanol?
The InChIKey is SLNLNJUCHVQYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-5-3-4-6-12(10)11-7-13(2,9-15)14-8-11/h3-6,11,14-15H,7-9H2,1-2H3.
What are the key properties of [2-methyl-4-(2-methylphenyl)pyrrolidin-2-yl]methanol?
[2-methyl-4-(2-methylphenyl)pyrrolidin-2-yl]methanol has a molecular weight of 205.30 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(2-methylphenyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 117270803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).