1-(4-methylphenyl)-2-pyrrolidin-2-ylpropan-2-ol

C14H21NO — CID 105474764

IUPAC1-(4-methylphenyl)-2-pyrrolidin-2-ylpropan-2-ol
SMILESCc1ccc(CC(C)(O)C2CCCN2)cc1
InChIInChI=1S/C14H21NO/c1-11-5-7-12(8-6-11)10-14(2,16)13-4-3-9-15-13/h5-8,13,15-16H,3-4,9-10H2,1-2H3
InChIKeyXOMGWXWVIXCKMU-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.04
Rot. Bonds3

About 1-(4-methylphenyl)-2-pyrrolidin-2-ylpropan-2-ol

1-(4-methylphenyl)-2-pyrrolidin-2-ylpropan-2-ol (PubChem CID 105474764) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-pyrrolidin-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-pyrrolidin-2-ylpropan-2-ol
PubChem CID105474764
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(4-methylphenyl)-2-pyrrolidin-2-ylpropan-2-ol
SMILESCc1ccc(CC(C)(O)C2CCCN2)cc1
InChIInChI=1S/C14H21NO/c1-11-5-7-12(8-6-11)10-14(2,16)13-4-3-9-15-13/h5-8,13,15-16H,3-4,9-10H2,1-2H3
InChIKeyXOMGWXWVIXCKMU-UHFFFAOYSA-N
XLogP2.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-pyrrolidin-2-ylpropan-2-ol?
The IUPAC name of 1-(4-methylphenyl)-2-pyrrolidin-2-ylpropan-2-ol (CID 105474764) is 1-(4-methylphenyl)-2-pyrrolidin-2-ylpropan-2-ol.
What is the SMILES notation for 1-(4-methylphenyl)-2-pyrrolidin-2-ylpropan-2-ol?
The canonical SMILES for 1-(4-methylphenyl)-2-pyrrolidin-2-ylpropan-2-ol is Cc1ccc(CC(C)(O)C2CCCN2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-pyrrolidin-2-ylpropan-2-ol?
The InChIKey is XOMGWXWVIXCKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-5-7-12(8-6-11)10-14(2,16)13-4-3-9-15-13/h5-8,13,15-16H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-2-pyrrolidin-2-ylpropan-2-ol?
1-(4-methylphenyl)-2-pyrrolidin-2-ylpropan-2-ol has a molecular weight of 219.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-pyrrolidin-2-ylpropan-2-ol is sourced from PubChem (CID 105474764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).