2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanol

C16H25NO3 — CID 103537734

IUPAC2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanol
SMILESCOC1CN(CC(O)c2ccc(C)cc2C)CC1OC
InChIInChI=1S/C16H25NO3/c1-11-5-6-13(12(2)7-11)14(18)8-17-9-15(19-3)16(10-17)20-4/h5-7,14-16,18H,8-10H2,1-4H3
InChIKeyPCYIVYWOSUSSSX-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.68
Rot. Bonds5

About 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanol

2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanol (PubChem CID 103537734) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanol
PubChem CID103537734
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanol
SMILESCOC1CN(CC(O)c2ccc(C)cc2C)CC1OC
InChIInChI=1S/C16H25NO3/c1-11-5-6-13(12(2)7-11)14(18)8-17-9-15(19-3)16(10-17)20-4/h5-7,14-16,18H,8-10H2,1-4H3
InChIKeyPCYIVYWOSUSSSX-UHFFFAOYSA-N
XLogP1.68
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminopiperidin-1-yl)-1-(2,4-dimethylphenyl)ethanol
CID 56771247
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,4-dimethylphenyl)ethanol
CID 63165368
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,5-dimethylphenyl)ethanamine
CID 103532436
1-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol
CID 4580010
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 103535673
1-(2,4-dimethylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanol
CID 79038082
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-ol
CID 103539283
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 103532480
1-(3-aminophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanol
CID 103530992
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60980968
(1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol
CID 93182212
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82074620

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanol?
The IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanol (CID 103537734) is 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanol?
The canonical SMILES for 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanol is COC1CN(CC(O)c2ccc(C)cc2C)CC1OC.
What is the InChIKey of 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanol?
The InChIKey is PCYIVYWOSUSSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11-5-6-13(12(2)7-11)14(18)8-17-9-15(19-3)16(10-17)20-4/h5-7,14-16,18H,8-10H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanol?
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanol has a molecular weight of 279.38 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanol is sourced from PubChem (CID 103537734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).