2-methoxy-3-(4-methoxyphenoxy)cyclobutan-1-amine

C12H17NO3 — CID 104674348

IUPAC2-methoxy-3-(4-methoxyphenoxy)cyclobutan-1-amine
SMILESCOc1ccc(OC2CC(N)C2OC)cc1
InChIInChI=1S/C12H17NO3/c1-14-8-3-5-9(6-4-8)16-11-7-10(13)12(11)15-2/h3-6,10-12H,7,13H2,1-2H3
InChIKeyXBSPIMDQJYEUBY-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.19
Rot. Bonds4

About 2-methoxy-3-(4-methoxyphenoxy)cyclobutan-1-amine

2-methoxy-3-(4-methoxyphenoxy)cyclobutan-1-amine (PubChem CID 104674348) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-methoxy-3-(4-methoxyphenoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2-methoxy-3-(4-methoxyphenoxy)cyclobutan-1-amine
PubChem CID104674348
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-methoxy-3-(4-methoxyphenoxy)cyclobutan-1-amine
SMILESCOc1ccc(OC2CC(N)C2OC)cc1
InChIInChI=1S/C12H17NO3/c1-14-8-3-5-9(6-4-8)16-11-7-10(13)12(11)15-2/h3-6,10-12H,7,13H2,1-2H3
InChIKeyXBSPIMDQJYEUBY-UHFFFAOYSA-N
XLogP1.19
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)cyclopropan-1-amine
CID 119092360
3-(4-fluoro-3-methylphenoxy)-2-methoxycyclobutan-1-amine
CID 104674976
3-(4-chloro-3-methylphenoxy)-2-methoxycyclobutan-1-amine
CID 104674523
3-(3-chlorophenoxy)-2-methoxycyclobutan-1-amine
CID 104674327
2-methoxy-3-quinolin-3-yloxycyclobutan-1-amine
CID 107388353
2-methoxy-3-(1-methylpyrazol-4-yl)oxycyclobutan-1-amine
CID 116794334
2-propoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine
CID 107943448
2-methoxy-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine
CID 113439792
3-[2,6-di(propan-2-yl)phenoxy]-2-methoxycyclobutan-1-amine
CID 104674749
3-(2,3-dimethylphenoxy)-2-methoxycyclobutan-1-amine
CID 104674259
1-(3-chloro-2-propoxycyclobutyl)oxy-4-methoxybenzene
CID 114018894
3-(2-bromo-4-methoxyphenoxy)-2-propoxycyclobutan-1-amine
CID 107943855

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(4-methoxyphenoxy)cyclobutan-1-amine?
The IUPAC name of 2-methoxy-3-(4-methoxyphenoxy)cyclobutan-1-amine (CID 104674348) is 2-methoxy-3-(4-methoxyphenoxy)cyclobutan-1-amine.
What is the SMILES notation for 2-methoxy-3-(4-methoxyphenoxy)cyclobutan-1-amine?
The canonical SMILES for 2-methoxy-3-(4-methoxyphenoxy)cyclobutan-1-amine is COc1ccc(OC2CC(N)C2OC)cc1.
What is the InChIKey of 2-methoxy-3-(4-methoxyphenoxy)cyclobutan-1-amine?
The InChIKey is XBSPIMDQJYEUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-14-8-3-5-9(6-4-8)16-11-7-10(13)12(11)15-2/h3-6,10-12H,7,13H2,1-2H3.
What are the key properties of 2-methoxy-3-(4-methoxyphenoxy)cyclobutan-1-amine?
2-methoxy-3-(4-methoxyphenoxy)cyclobutan-1-amine has a molecular weight of 223.27 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(4-methoxyphenoxy)cyclobutan-1-amine is sourced from PubChem (CID 104674348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).