1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]ethanamine

C13H20N2O — CID 83981947

IUPAC1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]ethanamine
SMILESCOc1ccccc1N1CCC(C(C)N)C1
InChIInChI=1S/C13H20N2O/c1-10(14)11-7-8-15(9-11)12-5-3-4-6-13(12)16-2/h3-6,10-11H,7-9,14H2,1-2H3
InChIKeyWPIHTVCMUKHXOQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.87
Rot. Bonds3

About 1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]ethanamine

1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]ethanamine (PubChem CID 83981947) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]ethanamine
PubChem CID83981947
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]ethanamine
SMILESCOc1ccccc1N1CCC(C(C)N)C1
InChIInChI=1S/C13H20N2O/c1-10(14)11-7-8-15(9-11)12-5-3-4-6-13(12)16-2/h3-6,10-11H,7-9,14H2,1-2H3
InChIKeyWPIHTVCMUKHXOQ-UHFFFAOYSA-N
XLogP1.87
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-aminoethyl)pyrrolidin-1-yl]benzonitrile
CID 103976657
1-[1-[1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975586
1-(2-methoxyphenyl)piperidin-4-amine
CID 24708477
1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine
CID 120843343
4-[1-(2-methoxyphenyl)pyrrolidin-3-yl]piperidine
CID 117022776
1-[1-[1-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine
CID 103975668
3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride
CID 120504219
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide
CID 103976908
4-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
CID 120565194
1-[1-(4-fluoro-5-methoxy-2-nitrophenyl)pyrrolidin-3-yl]ethanamine
CID 103976874
(2S)-2-amino-N-[1-(2-methoxyphenyl)piperidin-4-yl]butanamide
CID 119866158
7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-3-methoxy-8-methylquinolin-2-one
CID 130276659

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]ethanamine (CID 83981947) is 1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]ethanamine is COc1ccccc1N1CCC(C(C)N)C1.
What is the InChIKey of 1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]ethanamine?
The InChIKey is WPIHTVCMUKHXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(14)11-7-8-15(9-11)12-5-3-4-6-13(12)16-2/h3-6,10-11H,7-9,14H2,1-2H3.
What are the key properties of 1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]ethanamine?
1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]ethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 83981947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).