1-(4-ethylphenoxy)-3-(oxan-3-ylamino)propan-2-ol

C16H25NO3 — CID 63363406

IUPAC1-(4-ethylphenoxy)-3-(oxan-3-ylamino)propan-2-ol
SMILESCCc1ccc(OCC(O)CNC2CCCOC2)cc1
InChIInChI=1S/C16H25NO3/c1-2-13-5-7-16(8-6-13)20-12-15(18)10-17-14-4-3-9-19-11-14/h5-8,14-15,17-18H,2-4,9-12H2,1H3
InChIKeyCLDHZSILZASRDJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.76
Rot. Bonds7

About 1-(4-ethylphenoxy)-3-(oxan-3-ylamino)propan-2-ol

1-(4-ethylphenoxy)-3-(oxan-3-ylamino)propan-2-ol (PubChem CID 63363406) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(4-ethylphenoxy)-3-(oxan-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-ethylphenoxy)-3-(oxan-3-ylamino)propan-2-ol
PubChem CID63363406
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-(4-ethylphenoxy)-3-(oxan-3-ylamino)propan-2-ol
SMILESCCc1ccc(OCC(O)CNC2CCCOC2)cc1
InChIInChI=1S/C16H25NO3/c1-2-13-5-7-16(8-6-13)20-12-15(18)10-17-14-4-3-9-19-11-14/h5-8,14-15,17-18H,2-4,9-12H2,1H3
InChIKeyCLDHZSILZASRDJ-UHFFFAOYSA-N
XLogP1.76
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 18838017
1-(4-ethylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol
CID 61039219
1-(2-methoxyphenoxy)-3-(oxan-3-ylamino)propan-2-ol
CID 63364012
1-[(1,1-dioxothiolan-3-yl)amino]-3-(4-ethylphenoxy)propan-2-ol
CID 60633976
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-[(4-chlorophenyl)methoxy]-3-(oxan-3-ylamino)propan-2-ol
CID 63363760
(2R)-1-(cyclopentylamino)-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol;hydrochloride
CID 70674125
N-[(4-butoxyphenyl)methyl]oxan-3-amine
CID 63360097
2-(4-ethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449273
1-(4-methylphenoxy)-3-(oxan-4-ylamino)propan-2-ol;hydrochloride
CID 122714533
1-(oxan-3-ylamino)pentan-2-ol
CID 115719380
(2S)-1-(4-fluorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 93386645

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenoxy)-3-(oxan-3-ylamino)propan-2-ol?
The IUPAC name of 1-(4-ethylphenoxy)-3-(oxan-3-ylamino)propan-2-ol (CID 63363406) is 1-(4-ethylphenoxy)-3-(oxan-3-ylamino)propan-2-ol.
What is the SMILES notation for 1-(4-ethylphenoxy)-3-(oxan-3-ylamino)propan-2-ol?
The canonical SMILES for 1-(4-ethylphenoxy)-3-(oxan-3-ylamino)propan-2-ol is CCc1ccc(OCC(O)CNC2CCCOC2)cc1.
What is the InChIKey of 1-(4-ethylphenoxy)-3-(oxan-3-ylamino)propan-2-ol?
The InChIKey is CLDHZSILZASRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-2-13-5-7-16(8-6-13)20-12-15(18)10-17-14-4-3-9-19-11-14/h5-8,14-15,17-18H,2-4,9-12H2,1H3.
What are the key properties of 1-(4-ethylphenoxy)-3-(oxan-3-ylamino)propan-2-ol?
1-(4-ethylphenoxy)-3-(oxan-3-ylamino)propan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenoxy)-3-(oxan-3-ylamino)propan-2-ol is sourced from PubChem (CID 63363406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).