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

C13H20N2O — CID 117095351

IUPAC2-[2-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine
SMILESCN1CCC(Oc2ccccc2CCN)C1
InChIInChI=1S/C13H20N2O/c1-15-9-7-12(10-15)16-13-5-3-2-4-11(13)6-8-14/h2-5,12H,6-10,14H2,1H3
InChIKeyZKDURRUBFJGABL-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.27
Rot. Bonds4

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

2-[2-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine (PubChem CID 117095351) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[2-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine
PubChem CID117095351
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[2-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine
SMILESCN1CCC(Oc2ccccc2CCN)C1
InChIInChI=1S/C13H20N2O/c1-15-9-7-12(10-15)16-13-5-3-2-4-11(13)6-8-14/h2-5,12H,6-10,14H2,1H3
InChIKeyZKDURRUBFJGABL-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

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Related Compounds

4-[2-(1-methylpiperidin-3-yl)oxyphenyl]butan-1-amine
CID 117411224
[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine
CID 115004761
2-methyl-1-[2-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-amine
CID 117411189
3-[2-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
CID 115005802
3-(2-cyclopropyloxyphenyl)propan-1-amine
CID 117282623
3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-1-methylpiperidine;hydrochloride
CID 57497626
N'-hydroxy-2-(1-methylpyrrolidin-3-yl)oxybenzenecarboximidamide
CID 112741333
methyl 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate
CID 117054228
3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propan-1-amine
CID 15624038
3-methyl-4-(1-methylpyrrolidin-3-yl)oxyaniline
CID 171834819
[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine
CID 117052585
N-[2-(aminomethyl)phenyl]-1-methylpyrrolidin-3-amine
CID 82506999

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine?
The IUPAC name of 2-[2-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine (CID 117095351) is 2-[2-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine.
What is the SMILES notation for 2-[2-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine?
The canonical SMILES for 2-[2-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine is CN1CCC(Oc2ccccc2CCN)C1.
What is the InChIKey of 2-[2-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine?
The InChIKey is ZKDURRUBFJGABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15-9-7-12(10-15)16-13-5-3-2-4-11(13)6-8-14/h2-5,12H,6-10,14H2,1H3.
What are the key properties of 2-[2-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine?
2-[2-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine 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 2-[2-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine is sourced from PubChem (CID 117095351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).