4-(oxolan-2-yl)-1-phenoxy-N-propylbutan-2-amine

C17H27NO2 — CID 65164248

IUPAC4-(oxolan-2-yl)-1-phenoxy-N-propylbutan-2-amine
SMILESCCCNC(CCC1CCCO1)COc1ccccc1
InChIInChI=1S/C17H27NO2/c1-2-12-18-15(10-11-17-9-6-13-19-17)14-20-16-7-4-3-5-8-16/h3-5,7-8,15,17-18H,2,6,9-14H2,1H3
InChIKeyPUHLDMKLRIWRGS-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.39
Rot. Bonds9

About 4-(oxolan-2-yl)-1-phenoxy-N-propylbutan-2-amine

4-(oxolan-2-yl)-1-phenoxy-N-propylbutan-2-amine (PubChem CID 65164248) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-1-phenoxy-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(oxolan-2-yl)-1-phenoxy-N-propylbutan-2-amine
PubChem CID65164248
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-(oxolan-2-yl)-1-phenoxy-N-propylbutan-2-amine
SMILESCCCNC(CCC1CCCO1)COc1ccccc1
InChIInChI=1S/C17H27NO2/c1-2-12-18-15(10-11-17-9-6-13-19-17)14-20-16-7-4-3-5-8-16/h3-5,7-8,15,17-18H,2,6,9-14H2,1H3
InChIKeyPUHLDMKLRIWRGS-UHFFFAOYSA-N
XLogP3.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5-(oxolan-2-yl)-1-phenoxypentan-2-amine
CID 65164198
1-methylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164508
1-(2-bromophenyl)sulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 66144092
1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine
CID 65164444
4-(oxan-2-yl)-N-propyl-1-pyridin-3-ylbutan-2-amine
CID 105034731
1-(oxolan-2-yl)-N-propyloctan-3-amine
CID 115837005
1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65167020
1-(3-methylphenyl)-4-(oxan-2-yl)-N-propylbutan-2-amine
CID 63951958
1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164220
1-phenoxy-N-propyldecan-2-amine
CID 63416663
1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105018462
5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine
CID 65164347

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-1-phenoxy-N-propylbutan-2-amine?
The IUPAC name of 4-(oxolan-2-yl)-1-phenoxy-N-propylbutan-2-amine (CID 65164248) is 4-(oxolan-2-yl)-1-phenoxy-N-propylbutan-2-amine.
What is the SMILES notation for 4-(oxolan-2-yl)-1-phenoxy-N-propylbutan-2-amine?
The canonical SMILES for 4-(oxolan-2-yl)-1-phenoxy-N-propylbutan-2-amine is CCCNC(CCC1CCCO1)COc1ccccc1.
What is the InChIKey of 4-(oxolan-2-yl)-1-phenoxy-N-propylbutan-2-amine?
The InChIKey is PUHLDMKLRIWRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-2-12-18-15(10-11-17-9-6-13-19-17)14-20-16-7-4-3-5-8-16/h3-5,7-8,15,17-18H,2,6,9-14H2,1H3.
What are the key properties of 4-(oxolan-2-yl)-1-phenoxy-N-propylbutan-2-amine?
4-(oxolan-2-yl)-1-phenoxy-N-propylbutan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)-1-phenoxy-N-propylbutan-2-amine is sourced from PubChem (CID 65164248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).