1-(4-ethylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol

C16H25NO3 — CID 61039219

IUPAC1-(4-ethylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol
SMILESCCc1ccc(OCC(O)CNCC2CCOC2)cc1
InChIInChI=1S/C16H25NO3/c1-2-13-3-5-16(6-4-13)20-12-15(18)10-17-9-14-7-8-19-11-14/h3-6,14-15,17-18H,2,7-12H2,1H3
InChIKeyOSQFDCVEXPUKRB-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.61
Rot. Bonds8

About 1-(4-ethylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol

1-(4-ethylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol (PubChem CID 61039219) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(4-ethylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-ethylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol
PubChem CID61039219
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-(4-ethylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol
SMILESCCc1ccc(OCC(O)CNCC2CCOC2)cc1
InChIInChI=1S/C16H25NO3/c1-2-13-3-5-16(6-4-13)20-12-15(18)10-17-9-14-7-8-19-11-14/h3-6,14-15,17-18H,2,7-12H2,1H3
InChIKeyOSQFDCVEXPUKRB-UHFFFAOYSA-N
XLogP1.61
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol
CID 54913976
1-(4-ethylphenoxy)-3-(oxan-3-ylamino)propan-2-ol
CID 63363406
2-(4-ethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449273
1-(4-ethylphenyl)-3-(oxolan-3-yl)propan-2-ol
CID 103986414
1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 18838017
3-[[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100739
1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol
CID 43188012
1-(4-ethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
CID 83021074
N-cyclopropyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]acetamide
CID 60909778
1-cyclopentyl-3-(4-ethylphenoxy)propan-2-ol
CID 103160577
(2S)-1-(4-ethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39356436
4-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]butan-2-ol
CID 64911209

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(4-ethylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol (CID 61039219) is 1-(4-ethylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(4-ethylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(4-ethylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol is CCc1ccc(OCC(O)CNCC2CCOC2)cc1.
What is the InChIKey of 1-(4-ethylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol?
The InChIKey is OSQFDCVEXPUKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-2-13-3-5-16(6-4-13)20-12-15(18)10-17-9-14-7-8-19-11-14/h3-6,14-15,17-18H,2,7-12H2,1H3.
What are the key properties of 1-(4-ethylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol?
1-(4-ethylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol is sourced from PubChem (CID 61039219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).