[2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol

C14H21NO — CID 117017725

IUPAC[2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol
SMILESCc1cccc(N2CCC(CO)C2(C)C)c1
InChIInChI=1S/C14H21NO/c1-11-5-4-6-13(9-11)15-8-7-12(10-16)14(15,2)3/h4-6,9,12,16H,7-8,10H2,1-3H3
InChIKeyUNFXJGUWWHPPPX-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.59
Rot. Bonds2

About [2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol

[2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol (PubChem CID 117017725) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol
PubChem CID117017725
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol
SMILESCc1cccc(N2CCC(CO)C2(C)C)c1
InChIInChI=1S/C14H21NO/c1-11-5-4-6-13(9-11)15-8-7-12(10-16)14(15,2)3/h4-6,9,12,16H,7-8,10H2,1-3H3
InChIKeyUNFXJGUWWHPPPX-UHFFFAOYSA-N
XLogP2.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol (CID 117017725) is [2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol is Cc1cccc(N2CCC(CO)C2(C)C)c1.
What is the InChIKey of [2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol?
The InChIKey is UNFXJGUWWHPPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-5-4-6-13(9-11)15-8-7-12(10-16)14(15,2)3/h4-6,9,12,16H,7-8,10H2,1-3H3.
What are the key properties of [2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol?
[2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol has a molecular weight of 219.33 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 117017725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).