2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,5-dimethylphenyl)ethanamine

C16H26N2O2 — CID 103532436

IUPAC2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,5-dimethylphenyl)ethanamine
SMILESCOC1CN(CC(N)c2cc(C)ccc2C)CC1OC
InChIInChI=1S/C16H26N2O2/c1-11-5-6-12(2)13(7-11)14(17)8-18-9-15(19-3)16(10-18)20-4/h5-7,14-16H,8-10,17H2,1-4H3
InChIKeyLAQHAJHDMLHOST-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.65
Rot. Bonds5

About 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,5-dimethylphenyl)ethanamine

2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,5-dimethylphenyl)ethanamine (PubChem CID 103532436) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,5-dimethylphenyl)ethanamine
PubChem CID103532436
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,5-dimethylphenyl)ethanamine
SMILESCOC1CN(CC(N)c2cc(C)ccc2C)CC1OC
InChIInChI=1S/C16H26N2O2/c1-11-5-6-12(2)13(7-11)14(17)8-18-9-15(19-3)16(10-18)20-4/h5-7,14-16H,8-10,17H2,1-4H3
InChIKeyLAQHAJHDMLHOST-UHFFFAOYSA-N
XLogP1.65
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 64569121
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 103532480
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanol
CID 103537734
2-chloro-1-(2,5-dimethylphenyl)ethanamine
CID 116937497
1-(2,5-dimethylphenyl)propane-1,3-diamine
CID 116932732
1-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 82021677
2-(3-methoxy-4-methylpiperidin-1-yl)-1-(4-methylphenyl)ethanamine
CID 102965335
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 103532454
1-[2-amino-2-(2,5-dimethylphenyl)ethyl]pyrrolidin-2-one
CID 16790255
1-(2,5-dimethylphenyl)-4-methylpentan-1-amine
CID 43100717
(4R)-4-amino-4-(2,5-dimethylphenyl)butan-1-ol
CID 55265559
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(2,5-dimethylphenyl)ethanamine
CID 64575343

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,5-dimethylphenyl)ethanamine?
The IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,5-dimethylphenyl)ethanamine (CID 103532436) is 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,5-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,5-dimethylphenyl)ethanamine is COC1CN(CC(N)c2cc(C)ccc2C)CC1OC.
What is the InChIKey of 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,5-dimethylphenyl)ethanamine?
The InChIKey is LAQHAJHDMLHOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-5-6-12(2)13(7-11)14(17)8-18-9-15(19-3)16(10-18)20-4/h5-7,14-16H,8-10,17H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,5-dimethylphenyl)ethanamine?
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,5-dimethylphenyl)ethanamine has a molecular weight of 278.40 g/mol, XLogP of 1.65, 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-(2,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 103532436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).