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

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Related Compounds

1-[3-hydroxy-3-(2-methylphenyl)propyl]piperidin-4-ol
CID 62623816
1-(2-methylphenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol
CID 62623999
1-(2-methylphenyl)-3-thiomorpholin-4-ylpropan-1-ol
CID 62622922
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(2-methylphenyl)propan-1-ol
CID 102936466
1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 62623454
3-[2-(hydroxymethyl)morpholin-4-yl]-1-(2-methylphenyl)propan-1-ol
CID 81212708
3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-ol
CID 63159696
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanol
CID 103537734
3-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)propan-1-ol
CID 62624012
1-(2-chlorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine
CID 103539176
1-(2-bromophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-ol
CID 79184405
1-(2-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 66370370

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).