2-[3-(4-cyclohexylphenyl)oxetan-3-yl]ethanamine

C17H25NO — CID 116869537

IUPAC2-[3-(4-cyclohexylphenyl)oxetan-3-yl]ethanamine
SMILESNCCC1(c2ccc(C3CCCCC3)cc2)COC1
InChIInChI=1S/C17H25NO/c18-11-10-17(12-19-13-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-9,14H,1-5,10-13,18H2
InChIKeyOHGQEVPVTFCAEJ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.35
Rot. Bonds4

About 2-[3-(4-cyclohexylphenyl)oxetan-3-yl]ethanamine

2-[3-(4-cyclohexylphenyl)oxetan-3-yl]ethanamine (PubChem CID 116869537) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-[3-(4-cyclohexylphenyl)oxetan-3-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(4-cyclohexylphenyl)oxetan-3-yl]ethanamine
PubChem CID116869537
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-[3-(4-cyclohexylphenyl)oxetan-3-yl]ethanamine
SMILESNCCC1(c2ccc(C3CCCCC3)cc2)COC1
InChIInChI=1S/C17H25NO/c18-11-10-17(12-19-13-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-9,14H,1-5,10-13,18H2
InChIKeyOHGQEVPVTFCAEJ-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-cyclohexylphenyl)oxetan-3-yl]ethanamine?
The IUPAC name of 2-[3-(4-cyclohexylphenyl)oxetan-3-yl]ethanamine (CID 116869537) is 2-[3-(4-cyclohexylphenyl)oxetan-3-yl]ethanamine.
What is the SMILES notation for 2-[3-(4-cyclohexylphenyl)oxetan-3-yl]ethanamine?
The canonical SMILES for 2-[3-(4-cyclohexylphenyl)oxetan-3-yl]ethanamine is NCCC1(c2ccc(C3CCCCC3)cc2)COC1.
What is the InChIKey of 2-[3-(4-cyclohexylphenyl)oxetan-3-yl]ethanamine?
The InChIKey is OHGQEVPVTFCAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c18-11-10-17(12-19-13-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-9,14H,1-5,10-13,18H2.
What are the key properties of 2-[3-(4-cyclohexylphenyl)oxetan-3-yl]ethanamine?
2-[3-(4-cyclohexylphenyl)oxetan-3-yl]ethanamine has a molecular weight of 259.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-cyclohexylphenyl)oxetan-3-yl]ethanamine is sourced from PubChem (CID 116869537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).