[3-[(3,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methanol

C14H21NO — CID 66058599

IUPAC[3-[(3,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methanol
SMILESCc1cc(C)cc(CC2(CO)CCNC2)c1
InChIInChI=1S/C14H21NO/c1-11-5-12(2)7-13(6-11)8-14(10-16)3-4-15-9-14/h5-7,15-16H,3-4,8-10H2,1-2H3
InChIKeyVWAGTHRRVNYELI-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.82
Rot. Bonds3

About [3-[(3,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methanol

[3-[(3,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 66058599) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [3-[(3,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(3,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methanol
PubChem CID66058599
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[3-[(3,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methanol
SMILESCc1cc(C)cc(CC2(CO)CCNC2)c1
InChIInChI=1S/C14H21NO/c1-11-5-12(2)7-13(6-11)8-14(10-16)3-4-15-9-14/h5-7,15-16H,3-4,8-10H2,1-2H3
InChIKeyVWAGTHRRVNYELI-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [3-[(3,5-dimethylphenyl)methyl]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 [3-[(3,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [3-[(3,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methanol (CID 66058599) is [3-[(3,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-[(3,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-[(3,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methanol is Cc1cc(C)cc(CC2(CO)CCNC2)c1.
What is the InChIKey of [3-[(3,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is VWAGTHRRVNYELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-5-12(2)7-13(6-11)8-14(10-16)3-4-15-9-14/h5-7,15-16H,3-4,8-10H2,1-2H3.
What are the key properties of [3-[(3,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methanol?
[3-[(3,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 219.33 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 66058599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).