3-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-ol

C16H25NO3 — CID 103539283

IUPAC3-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-ol
SMILESCOC1CN(CCC(O)c2ccccc2C)CC1OC
InChIInChI=1S/C16H25NO3/c1-12-6-4-5-7-13(12)14(18)8-9-17-10-15(19-2)16(11-17)20-3/h4-7,14-16,18H,8-11H2,1-3H3
InChIKeyMFSTYUGIWAQXHX-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.76
Rot. Bonds6

About 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-ol

3-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-ol (PubChem CID 103539283) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-ol
PubChem CID103539283
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name3-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-ol
SMILESCOC1CN(CCC(O)c2ccccc2C)CC1OC
InChIInChI=1S/C16H25NO3/c1-12-6-4-5-7-13(12)14(18)8-9-17-10-15(19-2)16(11-17)20-3/h4-7,14-16,18H,8-11H2,1-3H3
InChIKeyMFSTYUGIWAQXHX-UHFFFAOYSA-N
XLogP1.76
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-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

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-ol?
The IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-ol (CID 103539283) is 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-ol is COC1CN(CCC(O)c2ccccc2C)CC1OC.
What is the InChIKey of 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-ol?
The InChIKey is MFSTYUGIWAQXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12-6-4-5-7-13(12)14(18)8-9-17-10-15(19-2)16(11-17)20-3/h4-7,14-16,18H,8-11H2,1-3H3.
What are the key properties of 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-ol?
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 103539283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).