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

C15H23NO — CID 56794041

IUPAC3-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-ol
SMILESCc1ccccc1C1CC(C)N(CCCO)C1
InChIInChI=1S/C15H23NO/c1-12-6-3-4-7-15(12)14-10-13(2)16(11-14)8-5-9-17/h3-4,6-7,13-14,17H,5,8-11H2,1-2H3
InChIKeyZTKHETCXUQMXMG-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.56
Rot. Bonds4

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

3-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-ol (PubChem CID 56794041) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-ol
PubChem CID56794041
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-ol
SMILESCc1ccccc1C1CC(C)N(CCCO)C1
InChIInChI=1S/C15H23NO/c1-12-6-3-4-7-15(12)14-10-13(2)16(11-14)8-5-9-17/h3-4,6-7,13-14,17H,5,8-11H2,1-2H3
InChIKeyZTKHETCXUQMXMG-UHFFFAOYSA-N
XLogP2.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-ol?
The IUPAC name of 3-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-ol (CID 56794041) is 3-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-ol?
The canonical SMILES for 3-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-ol is Cc1ccccc1C1CC(C)N(CCCO)C1.
What is the InChIKey of 3-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-ol?
The InChIKey is ZTKHETCXUQMXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-6-3-4-7-15(12)14-10-13(2)16(11-14)8-5-9-17/h3-4,6-7,13-14,17H,5,8-11H2,1-2H3.
What are the key properties of 3-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-ol?
3-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-ol is sourced from PubChem (CID 56794041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).