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

C15H21ClN2O2 — CID 117478270

IUPAC1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclobutan-1-amine
SMILESCOc1cc(Cl)cc(C2(N)CCC2)c1OC1CN(C)C1
InChIInChI=1S/C15H21ClN2O2/c1-18-8-11(9-18)20-14-12(15(17)4-3-5-15)6-10(16)7-13(14)19-2/h6-7,11H,3-5,8-9,17H2,1-2H3
InChIKeyARJVTZMICROCTG-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.38
Rot. Bonds4

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

1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclobutan-1-amine (PubChem CID 117478270) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclobutan-1-amine
PubChem CID117478270
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclobutan-1-amine
SMILESCOc1cc(Cl)cc(C2(N)CCC2)c1OC1CN(C)C1
InChIInChI=1S/C15H21ClN2O2/c1-18-8-11(9-18)20-14-12(15(17)4-3-5-15)6-10(16)7-13(14)19-2/h6-7,11H,3-5,8-9,17H2,1-2H3
InChIKeyARJVTZMICROCTG-UHFFFAOYSA-N
XLogP2.38
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclohexan-1-amine
CID 117476614
1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine
CID 117494437
1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclohexan-1-amine
CID 117469482
2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanamine
CID 117430106
1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanol
CID 117432342
1-(5-chloro-2-methoxy-3-methylphenyl)cyclobutan-1-amine
CID 117324614
1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopropan-1-ol
CID 117454602
[1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117476564
3-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]butanal
CID 117479478
2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine
CID 117478268
1-(5-chloro-2-methoxyphenyl)cyclobutan-1-amine
CID 43146587
4-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid
CID 117498916

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclobutan-1-amine?
The IUPAC name of 1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclobutan-1-amine (CID 117478270) is 1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclobutan-1-amine is COc1cc(Cl)cc(C2(N)CCC2)c1OC1CN(C)C1.
What is the InChIKey of 1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclobutan-1-amine?
The InChIKey is ARJVTZMICROCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-18-8-11(9-18)20-14-12(15(17)4-3-5-15)6-10(16)7-13(14)19-2/h6-7,11H,3-5,8-9,17H2,1-2H3.
What are the key properties of 1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclobutan-1-amine?
1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclobutan-1-amine has a molecular weight of 296.80 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclobutan-1-amine is sourced from PubChem (CID 117478270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).