[1-[2-(oxan-4-yloxy)phenyl]cyclobutyl]methanamine

C16H23NO2 — CID 117408023

IUPAC[1-[2-(oxan-4-yloxy)phenyl]cyclobutyl]methanamine
SMILESNCC1(c2ccccc2OC2CCOCC2)CCC1
InChIInChI=1S/C16H23NO2/c17-12-16(8-3-9-16)14-4-1-2-5-15(14)19-13-6-10-18-11-7-13/h1-2,4-5,13H,3,6-12,17H2
InChIKeyHJASKSLYKBWNOE-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.62
Rot. Bonds4

About [1-[2-(oxan-4-yloxy)phenyl]cyclobutyl]methanamine

[1-[2-(oxan-4-yloxy)phenyl]cyclobutyl]methanamine (PubChem CID 117408023) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is [1-[2-(oxan-4-yloxy)phenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[2-(oxan-4-yloxy)phenyl]cyclobutyl]methanamine
PubChem CID117408023
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name[1-[2-(oxan-4-yloxy)phenyl]cyclobutyl]methanamine
SMILESNCC1(c2ccccc2OC2CCOCC2)CCC1
InChIInChI=1S/C16H23NO2/c17-12-16(8-3-9-16)14-4-1-2-5-15(14)19-13-6-10-18-11-7-13/h1-2,4-5,13H,3,6-12,17H2
InChIKeyHJASKSLYKBWNOE-UHFFFAOYSA-N
XLogP2.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(thietan-3-yloxy)phenyl]cyclopentyl]methanamine
CID 117413855
[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine
CID 117408015
[1-[2-(1-methylazetidin-3-yl)oxyphenyl]cyclopropyl]methanamine
CID 117336793
[1-(5-bromo-2-cyclobutyloxyphenyl)cyclobutyl]methanamine
CID 117495123
[1-(2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117407993
[1-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]cyclobutyl]methanamine
CID 117489833
[1-[3-(oxan-4-yloxy)phenyl]cyclohexyl]methanamine
CID 117467815
1-[2-(oxolan-3-yloxy)phenyl]cyclopropan-1-ol
CID 117314326
[1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclobutyl]methanamine
CID 117492478
[1-[3-methoxy-2-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine
CID 117444480
1-[2-methoxy-3-(oxan-4-yloxy)phenyl]cyclopentan-1-amine
CID 117470749
[1-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclobutyl]methanamine
CID 117469400

Frequently Asked Questions

What is the IUPAC name of [1-[2-(oxan-4-yloxy)phenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[2-(oxan-4-yloxy)phenyl]cyclobutyl]methanamine (CID 117408023) is [1-[2-(oxan-4-yloxy)phenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[2-(oxan-4-yloxy)phenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[2-(oxan-4-yloxy)phenyl]cyclobutyl]methanamine is NCC1(c2ccccc2OC2CCOCC2)CCC1.
What is the InChIKey of [1-[2-(oxan-4-yloxy)phenyl]cyclobutyl]methanamine?
The InChIKey is HJASKSLYKBWNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c17-12-16(8-3-9-16)14-4-1-2-5-15(14)19-13-6-10-18-11-7-13/h1-2,4-5,13H,3,6-12,17H2.
What are the key properties of [1-[2-(oxan-4-yloxy)phenyl]cyclobutyl]methanamine?
[1-[2-(oxan-4-yloxy)phenyl]cyclobutyl]methanamine has a molecular weight of 261.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(oxan-4-yloxy)phenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117408023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).