1-ethoxy-5-(oxolan-2-yl)-1-phenylpentan-2-amine

C17H27NO2 — CID 116773427

IUPAC1-ethoxy-5-(oxolan-2-yl)-1-phenylpentan-2-amine
SMILESCCOC(c1ccccc1)C(N)CCCC1CCCO1
InChIInChI=1S/C17H27NO2/c1-2-19-17(14-8-4-3-5-9-14)16(18)12-6-10-15-11-7-13-20-15/h3-5,8-9,15-17H,2,6-7,10-13,18H2,1H3
InChIKeyOGBPVGUHCCXLBX-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.44
Rot. Bonds8

About 1-ethoxy-5-(oxolan-2-yl)-1-phenylpentan-2-amine

1-ethoxy-5-(oxolan-2-yl)-1-phenylpentan-2-amine (PubChem CID 116773427) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-ethoxy-5-(oxolan-2-yl)-1-phenylpentan-2-amine.

Molecular Properties

Compound Name1-ethoxy-5-(oxolan-2-yl)-1-phenylpentan-2-amine
PubChem CID116773427
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-ethoxy-5-(oxolan-2-yl)-1-phenylpentan-2-amine
SMILESCCOC(c1ccccc1)C(N)CCCC1CCCO1
InChIInChI=1S/C17H27NO2/c1-2-19-17(14-8-4-3-5-9-14)16(18)12-6-10-15-11-7-13-20-15/h3-5,8-9,15-17H,2,6-7,10-13,18H2,1H3
InChIKeyOGBPVGUHCCXLBX-UHFFFAOYSA-N
XLogP3.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-5-(oxolan-2-yl)-1-phenylpentan-2-ol
CID 116756915
1-(oxolan-2-yl)-4-phenylhexan-3-amine
CID 104993677
N-ethyl-1-(oxolan-2-yl)-5-phenylheptan-4-amine
CID 104992984
1-(oxolan-2-ylmethoxy)-1-phenylpropan-2-amine
CID 55017321
6-(oxolan-2-yl)-2-phenylhexan-3-ol
CID 65162298
N-methyl-5-(oxolan-2-yl)-2-phenylpentan-1-amine
CID 65431144
1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine
CID 103516724
1-amino-7-(oxolan-2-yl)-1-phenylheptan-4-one
CID 116570924
2-methoxy-6-(oxolan-2-yl)hexan-3-amine
CID 79617762
[1,1-diethoxy-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105246420
1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65166872
1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-amine
CID 66141385

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-5-(oxolan-2-yl)-1-phenylpentan-2-amine?
The IUPAC name of 1-ethoxy-5-(oxolan-2-yl)-1-phenylpentan-2-amine (CID 116773427) is 1-ethoxy-5-(oxolan-2-yl)-1-phenylpentan-2-amine.
What is the SMILES notation for 1-ethoxy-5-(oxolan-2-yl)-1-phenylpentan-2-amine?
The canonical SMILES for 1-ethoxy-5-(oxolan-2-yl)-1-phenylpentan-2-amine is CCOC(c1ccccc1)C(N)CCCC1CCCO1.
What is the InChIKey of 1-ethoxy-5-(oxolan-2-yl)-1-phenylpentan-2-amine?
The InChIKey is OGBPVGUHCCXLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-2-19-17(14-8-4-3-5-9-14)16(18)12-6-10-15-11-7-13-20-15/h3-5,8-9,15-17H,2,6-7,10-13,18H2,1H3.
What are the key properties of 1-ethoxy-5-(oxolan-2-yl)-1-phenylpentan-2-amine?
1-ethoxy-5-(oxolan-2-yl)-1-phenylpentan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-5-(oxolan-2-yl)-1-phenylpentan-2-amine is sourced from PubChem (CID 116773427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).