3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-phenylpropan-1-amine

C16H26N2O2 — CID 103539187

IUPAC3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-phenylpropan-1-amine
SMILESCOC1CN(CC(C)(CN)c2ccccc2)CC1OC
InChIInChI=1S/C16H26N2O2/c1-16(11-17,13-7-5-4-6-8-13)12-18-9-14(19-2)15(10-18)20-3/h4-8,14-15H,9-12,17H2,1-3H3
InChIKeyXFQANHDMRGWJSY-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.25
Rot. Bonds6

About 3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-phenylpropan-1-amine

3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-phenylpropan-1-amine (PubChem CID 103539187) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-phenylpropan-1-amine
PubChem CID103539187
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-phenylpropan-1-amine
SMILESCOC1CN(CC(C)(CN)c2ccccc2)CC1OC
InChIInChI=1S/C16H26N2O2/c1-16(11-17,13-7-5-4-6-8-13)12-18-9-14(19-2)15(10-18)20-3/h4-8,14-15H,9-12,17H2,1-3H3
InChIKeyXFQANHDMRGWJSY-UHFFFAOYSA-N
XLogP1.25
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylpropan-2-ol
CID 103540867
1-(3-amino-2-methyl-2-phenylpropyl)pyrrolidin-3-ol
CID 55131558
3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropan-1-amine
CID 55051607
1-amino-4-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylbutan-2-ol
CID 103540862
3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-phenylpropan-1-amine
CID 62257885
2-[1-(3-amino-2-methyl-2-phenylpropyl)piperidin-4-yl]oxyethanol
CID 82685523
3-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)-2-phenylpropanenitrile
CID 103537853
3-(3-methoxypiperidin-1-yl)-2-methyl-2-phenylpropan-1-ol
CID 102967569
[1-(3-amino-2-methyl-2-phenylpropyl)-3-methylpyrrolidin-2-yl]methanol
CID 102789630
3-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-amine
CID 62329869
3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-phenylpropanal
CID 102966874
3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-phenylpropan-1-amine
CID 62263045

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-phenylpropan-1-amine?
The IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-phenylpropan-1-amine (CID 103539187) is 3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-phenylpropan-1-amine?
The canonical SMILES for 3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-phenylpropan-1-amine is COC1CN(CC(C)(CN)c2ccccc2)CC1OC.
What is the InChIKey of 3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-phenylpropan-1-amine?
The InChIKey is XFQANHDMRGWJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(11-17,13-7-5-4-6-8-13)12-18-9-14(19-2)15(10-18)20-3/h4-8,14-15H,9-12,17H2,1-3H3.
What are the key properties of 3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-phenylpropan-1-amine?
3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-phenylpropan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 1.25, 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)-2-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 103539187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).