2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanamine

C13H19ClN2O2 — CID 117430106

IUPAC2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanamine
SMILESCOc1cc(Cl)cc(CCN)c1OC1CN(C)C1
InChIInChI=1S/C13H19ClN2O2/c1-16-7-11(8-16)18-13-9(3-4-15)5-10(14)6-12(13)17-2/h5-6,11H,3-4,7-8,15H2,1-2H3
InChIKeyZNEFIHXDILBSEM-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.54
Rot. Bonds5

About 2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanamine

2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanamine (PubChem CID 117430106) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanamine
PubChem CID117430106
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanamine
SMILESCOc1cc(Cl)cc(CCN)c1OC1CN(C)C1
InChIInChI=1S/C13H19ClN2O2/c1-16-7-11(8-16)18-13-9(3-4-15)5-10(14)6-12(13)17-2/h5-6,11H,3-4,7-8,15H2,1-2H3
InChIKeyZNEFIHXDILBSEM-UHFFFAOYSA-N
XLogP1.54
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]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

4-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid
CID 117498916
3-[2-(2-aminoethyl)-4-chloro-6-methoxyphenoxy]-1-methylpyrrolidin-2-one
CID 104666868
1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanol
CID 117432342
1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclobutan-1-amine
CID 117478270
1-[2-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)ethyl]piperazine
CID 117495669
3-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]butanal
CID 117479478
[5-chloro-3-methoxy-2-(oxan-4-yloxy)phenyl]methanamine
CID 104664075
O-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 117397784
2-[5-chloro-2-(2-ethoxyethoxy)-3-methoxyphenyl]ethanamine
CID 104666878
2-(2-but-2-ynoxy-5-chloro-3-methoxyphenyl)ethanamine
CID 113438911
2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine
CID 117478268
3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)propan-1-amine
CID 117398109

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanamine?
The IUPAC name of 2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanamine (CID 117430106) is 2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanamine.
What is the SMILES notation for 2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanamine?
The canonical SMILES for 2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanamine is COc1cc(Cl)cc(CCN)c1OC1CN(C)C1.
What is the InChIKey of 2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanamine?
The InChIKey is ZNEFIHXDILBSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-16-7-11(8-16)18-13-9(3-4-15)5-10(14)6-12(13)17-2/h5-6,11H,3-4,7-8,15H2,1-2H3.
What are the key properties of 2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanamine?
2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanamine has a molecular weight of 270.76 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanamine is sourced from PubChem (CID 117430106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).