N-ethyl-3-(oxan-3-yl)-1-phenylpropan-1-amine

C16H25NO — CID 107137812

IUPACN-ethyl-3-(oxan-3-yl)-1-phenylpropan-1-amine
SMILESCCNC(CCC1CCCOC1)c1ccccc1
InChIInChI=1S/C16H25NO/c1-2-17-16(15-8-4-3-5-9-15)11-10-14-7-6-12-18-13-14/h3-5,8-9,14,16-17H,2,6-7,10-13H2,1H3
InChIKeyXMISPUMABYXEGJ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.54
Rot. Bonds6

About N-ethyl-3-(oxan-3-yl)-1-phenylpropan-1-amine

N-ethyl-3-(oxan-3-yl)-1-phenylpropan-1-amine (PubChem CID 107137812) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-ethyl-3-(oxan-3-yl)-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(oxan-3-yl)-1-phenylpropan-1-amine
PubChem CID107137812
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-ethyl-3-(oxan-3-yl)-1-phenylpropan-1-amine
SMILESCCNC(CCC1CCCOC1)c1ccccc1
InChIInChI=1S/C16H25NO/c1-2-17-16(15-8-4-3-5-9-15)11-10-14-7-6-12-18-13-14/h3-5,8-9,14,16-17H,2,6-7,10-13H2,1H3
InChIKeyXMISPUMABYXEGJ-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-(oxan-4-yl)-1-phenylbutan-1-amine
CID 64502031
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1-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1-phenylpropane-1,2-diamine
CID 63727332
2-methyl-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine
CID 54905602
3,3,3-trifluoro-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine
CID 61020486
N-(oxolan-3-ylmethyl)-1-phenylpropan-1-amine
CID 60920561
1-(3-chlorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 115811982
3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 115794885
1-(1-benzofuran-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 105044052
N'-hydroxy-3-(oxan-3-ylmethylamino)-3-phenylpropanimidamide
CID 77031802
N,N-diethyl-N'-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine
CID 63736846
3-cyclopentyl-1-(3,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 115796908

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(oxan-3-yl)-1-phenylpropan-1-amine?
The IUPAC name of N-ethyl-3-(oxan-3-yl)-1-phenylpropan-1-amine (CID 107137812) is N-ethyl-3-(oxan-3-yl)-1-phenylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-(oxan-3-yl)-1-phenylpropan-1-amine?
The canonical SMILES for N-ethyl-3-(oxan-3-yl)-1-phenylpropan-1-amine is CCNC(CCC1CCCOC1)c1ccccc1.
What is the InChIKey of N-ethyl-3-(oxan-3-yl)-1-phenylpropan-1-amine?
The InChIKey is XMISPUMABYXEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-17-16(15-8-4-3-5-9-15)11-10-14-7-6-12-18-13-14/h3-5,8-9,14,16-17H,2,6-7,10-13H2,1H3.
What are the key properties of N-ethyl-3-(oxan-3-yl)-1-phenylpropan-1-amine?
N-ethyl-3-(oxan-3-yl)-1-phenylpropan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(oxan-3-yl)-1-phenylpropan-1-amine is sourced from PubChem (CID 107137812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).