4-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]butan-1-amine

C17H27NO3 — CID 67378314

IUPAC4-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]butan-1-amine
SMILESNCCCCc1ccc(OCCOC2CCCCO2)cc1
InChIInChI=1S/C17H27NO3/c18-11-3-1-5-15-7-9-16(10-8-15)19-13-14-21-17-6-2-4-12-20-17/h7-10,17H,1-6,11-14,18H2
InChIKeyYSJSTWUPXQNAIJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.89
Rot. Bonds9

About 4-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]butan-1-amine

4-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]butan-1-amine (PubChem CID 67378314) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]butan-1-amine.

Molecular Properties

Compound Name4-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]butan-1-amine
PubChem CID67378314
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name4-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]butan-1-amine
SMILESNCCCCc1ccc(OCCOC2CCCCO2)cc1
InChIInChI=1S/C17H27NO3/c18-11-3-1-5-15-7-9-16(10-8-15)19-13-14-21-17-6-2-4-12-20-17/h7-10,17H,1-6,11-14,18H2
InChIKeyYSJSTWUPXQNAIJ-UHFFFAOYSA-N
XLogP2.89
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]propanoate
CID 142646523
2-(2-phenoxyethoxy)oxane
CID 11736193
4-[6-[(2R)-oxan-2-yl]oxyhexyl]pyridine
CID 129363635
4-[6-[(2S)-oxan-2-yl]oxyhexyl]pyridine
CID 129363636
12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
2-[11-[4-(4-phenylphenyl)phenyl]undecoxy]oxane
CID 86055226
[4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol
CID 129389896
tert-butyl-dimethyl-[4-[3-(oxan-2-yloxy)propyl]phenoxy]silane
CID 11473578
2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane
CID 168915283
4-(2-aminoethyl)-N-[3-(oxan-2-yloxy)propyl]aniline
CID 147793748
2-[6-(4-ethynylphenoxy)hexoxy]oxane
CID 22709077

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]butan-1-amine?
The IUPAC name of 4-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]butan-1-amine (CID 67378314) is 4-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]butan-1-amine.
What is the SMILES notation for 4-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]butan-1-amine?
The canonical SMILES for 4-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]butan-1-amine is NCCCCc1ccc(OCCOC2CCCCO2)cc1.
What is the InChIKey of 4-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]butan-1-amine?
The InChIKey is YSJSTWUPXQNAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c18-11-3-1-5-15-7-9-16(10-8-15)19-13-14-21-17-6-2-4-12-20-17/h7-10,17H,1-6,11-14,18H2.
What are the key properties of 4-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]butan-1-amine?
4-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]butan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]butan-1-amine is sourced from PubChem (CID 67378314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).