3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-ol

C16H25NO — CID 55162523

IUPAC3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(O)CCN2CCCC2(C)C)c1
InChIInChI=1S/C16H25NO/c1-13-6-4-7-14(12-13)15(18)8-11-17-10-5-9-16(17,2)3/h4,6-7,12,15,18H,5,8-11H2,1-3H3
InChIKeyAKVAJSAEBVEBOL-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.29
Rot. Bonds4

About 3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-ol

3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-ol (PubChem CID 55162523) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-ol
PubChem CID55162523
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(O)CCN2CCCC2(C)C)c1
InChIInChI=1S/C16H25NO/c1-13-6-4-7-14(12-13)15(18)8-11-17-10-5-9-16(17,2)3/h4,6-7,12,15,18H,5,8-11H2,1-3H3
InChIKeyAKVAJSAEBVEBOL-UHFFFAOYSA-N
XLogP3.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-[3-hydroxy-3-(3-methylphenyl)propyl]-4-methylpiperidin-4-ol
CID 81116306
1-[3-hydroxy-3-(3-methylphenyl)propyl]piperidin-4-ol
CID 62623635
3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 55160971
3-[2-(hydroxymethyl)morpholin-4-yl]-1-(3-methylphenyl)propan-1-ol
CID 81214348
ethane;1-(3-methylphenyl)butan-1-ol
CID 143891671
1-(3-methylphenyl)-3-(oxiran-2-yl)propan-1-ol
CID 165440568
1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)butan-2-amine
CID 63215904
3-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol
CID 55156133
1-(3-methylphenyl)decan-1-ol
CID 63411280
1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889
4-methyl-1-(3-methylphenyl)pent-4-en-1-ol
CID 114473799
4-methoxy-1-(3-methylphenyl)butan-1-ol
CID 62608574

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-ol?
The IUPAC name of 3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-ol (CID 55162523) is 3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-ol is Cc1cccc(C(O)CCN2CCCC2(C)C)c1.
What is the InChIKey of 3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-ol?
The InChIKey is AKVAJSAEBVEBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-6-4-7-14(12-13)15(18)8-11-17-10-5-9-16(17,2)3/h4,6-7,12,15,18H,5,8-11H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-ol?
3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 55162523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).