[1-[4-(oxetan-3-yloxy)phenyl]cyclohexyl]methanamine

C16H23NO2 — CID 117408251

IUPAC[1-[4-(oxetan-3-yloxy)phenyl]cyclohexyl]methanamine
SMILESNCC1(c2ccc(OC3COC3)cc2)CCCCC1
InChIInChI=1S/C16H23NO2/c17-12-16(8-2-1-3-9-16)13-4-6-14(7-5-13)19-15-10-18-11-15/h4-7,15H,1-3,8-12,17H2
InChIKeyHFZDWXBJZKLJKX-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.62
Rot. Bonds4

About [1-[4-(oxetan-3-yloxy)phenyl]cyclohexyl]methanamine

[1-[4-(oxetan-3-yloxy)phenyl]cyclohexyl]methanamine (PubChem CID 117408251) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is [1-[4-(oxetan-3-yloxy)phenyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[4-(oxetan-3-yloxy)phenyl]cyclohexyl]methanamine
PubChem CID117408251
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name[1-[4-(oxetan-3-yloxy)phenyl]cyclohexyl]methanamine
SMILESNCC1(c2ccc(OC3COC3)cc2)CCCCC1
InChIInChI=1S/C16H23NO2/c17-12-16(8-2-1-3-9-16)13-4-6-14(7-5-13)19-15-10-18-11-15/h4-7,15H,1-3,8-12,17H2
InChIKeyHFZDWXBJZKLJKX-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 ≤ 500261.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-cyclobutyloxyphenyl)cyclohexyl]methanamine
CID 117402976
[1-[4-(thiolan-3-yloxy)phenyl]cyclohexyl]methanamine
CID 117470986
[1-[4-(oxetan-3-ylmethyl)phenyl]cyclopentyl]methanamine
CID 115004778
[1-[4-(oxetan-3-ylsulfanyl)phenyl]cyclopentyl]methanamine
CID 117413818
[1-[4-(difluoromethoxy)phenyl]cycloheptyl]methanamine
CID 28937862
1-[4-(oxan-3-yloxy)phenyl]cyclohexan-1-amine
CID 117440934
[1-[3-(oxan-4-yloxy)phenyl]cyclohexyl]methanamine
CID 117467815
4-[1-(aminomethyl)cyclohexyl]benzenethiol
CID 154826557
[1-(4-chlorophenyl)cycloheptyl]methanamine
CID 28937852
[1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexyl]methanamine
CID 117402969
[1-(4-bromophenyl)cyclopentyl]methanamine
CID 43119067
ethane;4-(oxetan-3-yloxy)aniline
CID 169232472

Frequently Asked Questions

What is the IUPAC name of [1-[4-(oxetan-3-yloxy)phenyl]cyclohexyl]methanamine?
The IUPAC name of [1-[4-(oxetan-3-yloxy)phenyl]cyclohexyl]methanamine (CID 117408251) is [1-[4-(oxetan-3-yloxy)phenyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[4-(oxetan-3-yloxy)phenyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[4-(oxetan-3-yloxy)phenyl]cyclohexyl]methanamine is NCC1(c2ccc(OC3COC3)cc2)CCCCC1.
What is the InChIKey of [1-[4-(oxetan-3-yloxy)phenyl]cyclohexyl]methanamine?
The InChIKey is HFZDWXBJZKLJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c17-12-16(8-2-1-3-9-16)13-4-6-14(7-5-13)19-15-10-18-11-15/h4-7,15H,1-3,8-12,17H2.
What are the key properties of [1-[4-(oxetan-3-yloxy)phenyl]cyclohexyl]methanamine?
[1-[4-(oxetan-3-yloxy)phenyl]cyclohexyl]methanamine has a molecular weight of 261.37 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-[4-(oxetan-3-yloxy)phenyl]cyclohexyl]methanamine is sourced from PubChem (CID 117408251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).