[2-[2-(1-methylazetidin-3-yl)ethoxy]phenyl]methanamine

C13H20N2O — CID 84686072

IUPAC[2-[2-(1-methylazetidin-3-yl)ethoxy]phenyl]methanamine
SMILESCN1CC(CCOc2ccccc2CN)C1
InChIInChI=1S/C13H20N2O/c1-15-9-11(10-15)6-7-16-13-5-3-2-4-12(13)8-14/h2-5,11H,6-10,14H2,1H3
InChIKeyQSUYHCCNMGMGTH-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.48
Rot. Bonds5

About [2-[2-(1-methylazetidin-3-yl)ethoxy]phenyl]methanamine

[2-[2-(1-methylazetidin-3-yl)ethoxy]phenyl]methanamine (PubChem CID 84686072) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [2-[2-(1-methylazetidin-3-yl)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-[2-(1-methylazetidin-3-yl)ethoxy]phenyl]methanamine
PubChem CID84686072
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[2-[2-(1-methylazetidin-3-yl)ethoxy]phenyl]methanamine
SMILESCN1CC(CCOc2ccccc2CN)C1
InChIInChI=1S/C13H20N2O/c1-15-9-11(10-15)6-7-16-13-5-3-2-4-12(13)8-14/h2-5,11H,6-10,14H2,1H3
InChIKeyQSUYHCCNMGMGTH-UHFFFAOYSA-N
XLogP1.48
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine
CID 84674537
[2-[3-(2-cyclopropylethoxy)propoxy]phenyl]methanamine
CID 114157324
[2-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methanamine
CID 114157332
[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166937
[2-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]methanamine
CID 54882055
[2-[3-(4-ethoxypiperidin-1-yl)propoxy]phenyl]methanamine
CID 61218601
1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-methylpyrrolidin-2-one
CID 63103704
2-[1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-3-yl]ethanol
CID 107227275
N-[2-[2-(aminomethyl)phenoxy]ethyl]-N-(cyclopropylmethyl)propan-1-amine
CID 43478990
1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511003
[2-[2-(2-methyl-1,4-oxazepan-4-yl)ethoxy]phenyl]methanamine
CID 62987404
[2-[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propoxy]phenyl]methanamine
CID 82752031

Frequently Asked Questions

What is the IUPAC name of [2-[2-(1-methylazetidin-3-yl)ethoxy]phenyl]methanamine?
The IUPAC name of [2-[2-(1-methylazetidin-3-yl)ethoxy]phenyl]methanamine (CID 84686072) is [2-[2-(1-methylazetidin-3-yl)ethoxy]phenyl]methanamine.
What is the SMILES notation for [2-[2-(1-methylazetidin-3-yl)ethoxy]phenyl]methanamine?
The canonical SMILES for [2-[2-(1-methylazetidin-3-yl)ethoxy]phenyl]methanamine is CN1CC(CCOc2ccccc2CN)C1.
What is the InChIKey of [2-[2-(1-methylazetidin-3-yl)ethoxy]phenyl]methanamine?
The InChIKey is QSUYHCCNMGMGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15-9-11(10-15)6-7-16-13-5-3-2-4-12(13)8-14/h2-5,11H,6-10,14H2,1H3.
What are the key properties of [2-[2-(1-methylazetidin-3-yl)ethoxy]phenyl]methanamine?
[2-[2-(1-methylazetidin-3-yl)ethoxy]phenyl]methanamine has a molecular weight of 220.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(1-methylazetidin-3-yl)ethoxy]phenyl]methanamine is sourced from PubChem (CID 84686072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).