2-(3,4-dimethoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine

C15H24N2O2 — CID 54882022

IUPAC2-(3,4-dimethoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
SMILESCOc1ccc(C(CN)N2CCCC2C)cc1OC
InChIInChI=1S/C15H24N2O2/c1-11-5-4-8-17(11)13(10-16)12-6-7-14(18-2)15(9-12)19-3/h6-7,9,11,13H,4-5,8,10,16H2,1-3H3
InChIKeyIFFRNJLWIMTLQI-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.19
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine

2-(3,4-dimethoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine (PubChem CID 54882022) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
PubChem CID54882022
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(3,4-dimethoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
SMILESCOc1ccc(C(CN)N2CCCC2C)cc1OC
InChIInChI=1S/C15H24N2O2/c1-11-5-4-8-17(11)13(10-16)12-6-7-14(18-2)15(9-12)19-3/h6-7,9,11,13H,4-5,8,10,16H2,1-3H3
InChIKeyIFFRNJLWIMTLQI-UHFFFAOYSA-N
XLogP2.19
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54881927
2-(3,4-dichlorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54881976
2-(2,3-dimethylpiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 62132977
2-(6-methoxy-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 114937035
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65319130
(2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 9161144
2-(2-methylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 43180363
2-(2,4-dimethylpiperazin-1-yl)-2-(4-methoxy-3-propoxyphenyl)ethanamine
CID 83979522
2-(6-methoxy-3-pyridinyl)-2-(2-methylazepan-1-yl)ethanamine
CID 114937183
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 82752173
2-(3,4-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol
CID 83978276
2-(2-methylpyrrolidin-1-yl)-2-pyridin-3-ylethanamine
CID 60973443

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine (CID 54882022) is 2-(3,4-dimethoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine is COc1ccc(C(CN)N2CCCC2C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine?
The InChIKey is IFFRNJLWIMTLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-5-4-8-17(11)13(10-16)12-6-7-14(18-2)15(9-12)19-3/h6-7,9,11,13H,4-5,8,10,16H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine?
2-(3,4-dimethoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine has a molecular weight of 264.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 54882022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).