2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]aniline

C14H22N2O3 — CID 103531079

IUPAC2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]aniline
SMILESCOC1CN(CCOc2ccccc2N)CC1OC
InChIInChI=1S/C14H22N2O3/c1-17-13-9-16(10-14(13)18-2)7-8-19-12-6-4-3-5-11(12)15/h3-6,13-14H,7-10,15H2,1-2H3
InChIKeyNOKMNSPHLJXWNB-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.99
Rot. Bonds6

About 2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]aniline

2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]aniline (PubChem CID 103531079) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]aniline.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]aniline
PubChem CID103531079
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]aniline
SMILESCOC1CN(CCOc2ccccc2N)CC1OC
InChIInChI=1S/C14H22N2O3/c1-17-13-9-16(10-14(13)18-2)7-8-19-12-6-4-3-5-11(12)15/h3-6,13-14H,7-10,15H2,1-2H3
InChIKeyNOKMNSPHLJXWNB-UHFFFAOYSA-N
XLogP0.99
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-phenylazetidin-1-yl)ethoxy]aniline
CID 79688063
2-[2-(3,3-dimethoxyazetidin-1-yl)ethoxy]aniline
CID 79688995
2-[3-(3,5-dimethylpiperidin-1-yl)propoxy]aniline
CID 43174256
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
2-[2-(2-ethylmorpholin-4-yl)ethoxy]aniline
CID 43562249
4-[2-(2-aminophenoxy)ethyl]piperazine-1-carbaldehyde
CID 82087161
2-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethoxy]aniline
CID 79940825
[4-[2-(2-aminophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776376
1-[2-(2-aminophenoxy)ethyl]-4-tert-butylpyrrolidin-2-one
CID 104510945
2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]aniline
CID 114592202
3-[2-(2-aminophenoxy)ethyl]-1-methylimidazolidine-2,4-dione
CID 43365808
2-[2-(2,5-dimethylmorpholin-4-yl)ethoxy]aniline
CID 43544167

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]aniline?
The IUPAC name of 2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]aniline (CID 103531079) is 2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]aniline.
What is the SMILES notation for 2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]aniline?
The canonical SMILES for 2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]aniline is COC1CN(CCOc2ccccc2N)CC1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]aniline?
The InChIKey is NOKMNSPHLJXWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-17-13-9-16(10-14(13)18-2)7-8-19-12-6-4-3-5-11(12)15/h3-6,13-14H,7-10,15H2,1-2H3.
What are the key properties of 2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]aniline?
2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]aniline has a molecular weight of 266.34 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]aniline is sourced from PubChem (CID 103531079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).