[1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclobutyl]methanamine

C17H25NO3 — CID 117470732

IUPAC[1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclobutyl]methanamine
SMILESCOc1cc(C2(CN)CCC2)ccc1OC1CCCOC1
InChIInChI=1S/C17H25NO3/c1-19-16-10-13(17(12-18)7-3-8-17)5-6-15(16)21-14-4-2-9-20-11-14/h5-6,10,14H,2-4,7-9,11-12,18H2,1H3
InChIKeyUIFVVZBHALONIT-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.63
Rot. Bonds5

About [1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclobutyl]methanamine

[1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclobutyl]methanamine (PubChem CID 117470732) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is [1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclobutyl]methanamine
PubChem CID117470732
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name[1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclobutyl]methanamine
SMILESCOc1cc(C2(CN)CCC2)ccc1OC1CCCOC1
InChIInChI=1S/C17H25NO3/c1-19-16-10-13(17(12-18)7-3-8-17)5-6-15(16)21-14-4-2-9-20-11-14/h5-6,10,14H,2-4,7-9,11-12,18H2,1H3
InChIKeyUIFVVZBHALONIT-UHFFFAOYSA-N
XLogP2.63
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclopentan-1-amine
CID 117470745
1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine
CID 117444451
[1-[3-chloro-4-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine
CID 117452536
[1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]methanamine
CID 117488616
[4-(3,4-dimethoxyphenyl)oxan-4-yl]methanamine;hydrochloride
CID 2852629
[1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]cyclobutyl]methanamine
CID 117408013
(1S)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanamine
CID 107134434
[1-[3-methoxy-2-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine
CID 117444480
(1R)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanol
CID 107135071
2-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine
CID 117417571
2-[3-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylethanamine
CID 117417850
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420

Frequently Asked Questions

What is the IUPAC name of [1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclobutyl]methanamine (CID 117470732) is [1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclobutyl]methanamine is COc1cc(C2(CN)CCC2)ccc1OC1CCCOC1.
What is the InChIKey of [1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclobutyl]methanamine?
The InChIKey is UIFVVZBHALONIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-19-16-10-13(17(12-18)7-3-8-17)5-6-15(16)21-14-4-2-9-20-11-14/h5-6,10,14H,2-4,7-9,11-12,18H2,1H3.
What are the key properties of [1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclobutyl]methanamine?
[1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclobutyl]methanamine has a molecular weight of 291.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117470732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).