2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanamine

C13H20N2O — CID 115032201

IUPAC2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanamine
SMILESCN1CCC(c2cccc(OCCN)c2)C1
InChIInChI=1S/C13H20N2O/c1-15-7-5-12(10-15)11-3-2-4-13(9-11)16-8-6-14/h2-4,9,12H,5-8,10,14H2,1H3
InChIKeyKFIYKAYGEYFXAO-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.44
Rot. Bonds4

About 2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanamine

2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanamine (PubChem CID 115032201) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanamine.

Molecular Properties

Compound Name2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanamine
PubChem CID115032201
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanamine
SMILESCN1CCC(c2cccc(OCCN)c2)C1
InChIInChI=1S/C13H20N2O/c1-15-7-5-12(10-15)11-3-2-4-13(9-11)16-8-6-14/h2-4,9,12H,5-8,10,14H2,1H3
InChIKeyKFIYKAYGEYFXAO-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanamine 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

3-[3-(1-methylpyrrolidin-3-yl)phenoxy]propan-1-amine
CID 115040370
2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanol
CID 115032728
2-(3-cyclopropylphenoxy)ethanamine
CID 89209631
2-[4-(1-methylpiperidin-4-yl)phenoxy]ethanamine
CID 115040366
O-[2-[3-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine
CID 117314821
[4-[3-(1-methylpyrrolidin-3-yl)phenyl]phenyl]methanamine
CID 116988532
(3R)-1,3-dimethyl-4-(3-propoxyphenyl)piperidine
CID 143447260
3-[3-(azetidin-3-yl)phenyl]-1-methylpyrrolidine
CID 116988525
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
CID 176580102
CID 176580102
2-methyl-3-[3-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine
CID 116988517
CID 176580101
CID 176580101

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanamine?
The IUPAC name of 2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanamine (CID 115032201) is 2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanamine.
What is the SMILES notation for 2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanamine?
The canonical SMILES for 2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanamine is CN1CCC(c2cccc(OCCN)c2)C1.
What is the InChIKey of 2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanamine?
The InChIKey is KFIYKAYGEYFXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15-7-5-12(10-15)11-3-2-4-13(9-11)16-8-6-14/h2-4,9,12H,5-8,10,14H2,1H3.
What are the key properties of 2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanamine?
2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanamine is sourced from PubChem (CID 115032201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).