1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine

C13H20N2O — CID 82158725

IUPAC1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
SMILESCOc1cccc(CCN2CCC(N)C2)c1
InChIInChI=1S/C13H20N2O/c1-16-13-4-2-3-11(9-13)5-7-15-8-6-12(14)10-15/h2-4,9,12H,5-8,10,14H2,1H3
InChIKeyUGGUJYXPCDTJDT-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.27
Rot. Bonds4

About 1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine

1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine (PubChem CID 82158725) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
PubChem CID82158725
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
SMILESCOc1cccc(CCN2CCC(N)C2)c1
InChIInChI=1S/C13H20N2O/c1-16-13-4-2-3-11(9-13)5-7-15-8-6-12(14)10-15/h2-4,9,12H,5-8,10,14H2,1H3
InChIKeyUGGUJYXPCDTJDT-UHFFFAOYSA-N
XLogP1.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
(3S)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933968
1-[2-(3-methoxyphenyl)ethyl]piperidin-4-ol
CID 82083424
1-(2-phenylethyl)pyrrolidin-3-amine
CID 18411819
1-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride
CID 127043453
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 119412755
1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 61296672
1-[2-(3-methoxyphenyl)ethyl]-N-propylpiperidin-4-amine
CID 107852949
4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propyl]piperidine
CID 71999972
1-[2-(3-methoxyphenyl)ethyl]-3-propylpiperazine
CID 107854185
(3S)-1-[[3-(2-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 162331548
1-[(3S)-3-aminopiperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 124628214

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine (CID 82158725) is 1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine is COc1cccc(CCN2CCC(N)C2)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine?
The InChIKey is UGGUJYXPCDTJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-16-13-4-2-3-11(9-13)5-7-15-8-6-12(14)10-15/h2-4,9,12H,5-8,10,14H2,1H3.
What are the key properties of 1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine?
1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine has a molecular weight of 220.32 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 82158725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).