N-[2-(oxan-4-yloxy)propyl]aniline

C14H21NO2 — CID 62584422

IUPACN-[2-(oxan-4-yloxy)propyl]aniline
SMILESCC(CNc1ccccc1)OC1CCOCC1
InChIInChI=1S/C14H21NO2/c1-12(17-14-7-9-16-10-8-14)11-15-13-5-3-2-4-6-13/h2-6,12,14-15H,7-11H2,1H3
InChIKeyXUKKODPVHSGUFV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.68
Rot. Bonds5

About N-[2-(oxan-4-yloxy)propyl]aniline

N-[2-(oxan-4-yloxy)propyl]aniline (PubChem CID 62584422) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[2-(oxan-4-yloxy)propyl]aniline.

Molecular Properties

Compound NameN-[2-(oxan-4-yloxy)propyl]aniline
PubChem CID62584422
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[2-(oxan-4-yloxy)propyl]aniline
SMILESCC(CNc1ccccc1)OC1CCOCC1
InChIInChI=1S/C14H21NO2/c1-12(17-14-7-9-16-10-8-14)11-15-13-5-3-2-4-6-13/h2-6,12,14-15H,7-11H2,1H3
InChIKeyXUKKODPVHSGUFV-UHFFFAOYSA-N
XLogP2.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(oxan-4-yloxy)propyl]aniline?
The IUPAC name of N-[2-(oxan-4-yloxy)propyl]aniline (CID 62584422) is N-[2-(oxan-4-yloxy)propyl]aniline.
What is the SMILES notation for N-[2-(oxan-4-yloxy)propyl]aniline?
The canonical SMILES for N-[2-(oxan-4-yloxy)propyl]aniline is CC(CNc1ccccc1)OC1CCOCC1.
What is the InChIKey of N-[2-(oxan-4-yloxy)propyl]aniline?
The InChIKey is XUKKODPVHSGUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12(17-14-7-9-16-10-8-14)11-15-13-5-3-2-4-6-13/h2-6,12,14-15H,7-11H2,1H3.
What are the key properties of N-[2-(oxan-4-yloxy)propyl]aniline?
N-[2-(oxan-4-yloxy)propyl]aniline has a molecular weight of 235.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxan-4-yloxy)propyl]aniline is sourced from PubChem (CID 62584422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).