4-[2-(3-phenylazetidin-1-yl)ethoxy]cyclohexan-1-amine

C17H26N2O — CID 79678749

IUPAC4-[2-(3-phenylazetidin-1-yl)ethoxy]cyclohexan-1-amine
SMILESNC1CCC(OCCN2CC(c3ccccc3)C2)CC1
InChIInChI=1S/C17H26N2O/c18-16-6-8-17(9-7-16)20-11-10-19-12-15(13-19)14-4-2-1-3-5-14/h1-5,15-17H,6-13,18H2
InChIKeyOTSHPQLFDGRCCL-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.37
Rot. Bonds5

About 4-[2-(3-phenylazetidin-1-yl)ethoxy]cyclohexan-1-amine

4-[2-(3-phenylazetidin-1-yl)ethoxy]cyclohexan-1-amine (PubChem CID 79678749) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[2-(3-phenylazetidin-1-yl)ethoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-(3-phenylazetidin-1-yl)ethoxy]cyclohexan-1-amine
PubChem CID79678749
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-[2-(3-phenylazetidin-1-yl)ethoxy]cyclohexan-1-amine
SMILESNC1CCC(OCCN2CC(c3ccccc3)C2)CC1
InChIInChI=1S/C17H26N2O/c18-16-6-8-17(9-7-16)20-11-10-19-12-15(13-19)14-4-2-1-3-5-14/h1-5,15-17H,6-13,18H2
InChIKeyOTSHPQLFDGRCCL-UHFFFAOYSA-N
XLogP2.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-phenylazetidin-1-yl)ethoxy]cyclohexan-1-amine?
The IUPAC name of 4-[2-(3-phenylazetidin-1-yl)ethoxy]cyclohexan-1-amine (CID 79678749) is 4-[2-(3-phenylazetidin-1-yl)ethoxy]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-(3-phenylazetidin-1-yl)ethoxy]cyclohexan-1-amine?
The canonical SMILES for 4-[2-(3-phenylazetidin-1-yl)ethoxy]cyclohexan-1-amine is NC1CCC(OCCN2CC(c3ccccc3)C2)CC1.
What is the InChIKey of 4-[2-(3-phenylazetidin-1-yl)ethoxy]cyclohexan-1-amine?
The InChIKey is OTSHPQLFDGRCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c18-16-6-8-17(9-7-16)20-11-10-19-12-15(13-19)14-4-2-1-3-5-14/h1-5,15-17H,6-13,18H2.
What are the key properties of 4-[2-(3-phenylazetidin-1-yl)ethoxy]cyclohexan-1-amine?
4-[2-(3-phenylazetidin-1-yl)ethoxy]cyclohexan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-phenylazetidin-1-yl)ethoxy]cyclohexan-1-amine is sourced from PubChem (CID 79678749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).