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

C14H23NO3 — CID 60909876

IUPAC1-(4-ethylphenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol
SMILESCCc1ccc(OCC(O)CNC(C)CO)cc1
InChIInChI=1S/C14H23NO3/c1-3-12-4-6-14(7-5-12)18-10-13(17)8-15-11(2)9-16/h4-7,11,13,15-17H,3,8-10H2,1-2H3
InChIKeyYXIYIIUFWUPEGV-UHFFFAOYSA-N
MW253.34 g/mol
LogP0.96
Rot. Bonds8

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

1-(4-ethylphenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol (PubChem CID 60909876) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(4-ethylphenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-ethylphenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol
PubChem CID60909876
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(4-ethylphenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol
SMILESCCc1ccc(OCC(O)CNC(C)CO)cc1
InChIInChI=1S/C14H23NO3/c1-3-12-4-6-14(7-5-12)18-10-13(17)8-15-11(2)9-16/h4-7,11,13,15-17H,3,8-10H2,1-2H3
InChIKeyYXIYIIUFWUPEGV-UHFFFAOYSA-N
XLogP0.96
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol
CID 60909045
4-[2-hydroxy-3-(1-hydroxypropan-2-ylamino)propoxy]benzonitrile
CID 60908540
1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol
CID 43188012
1-[1-(4-ethylphenyl)ethylamino]-3-(4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 138958832
(2S)-1-[4-(hydroxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 93481255
3-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]-4-methoxybutan-1-ol
CID 106159851
N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]propanamide
CID 61477112
(2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787572
(2S)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787574
4-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]butan-2-ol
CID 64911209
1-[4-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 44537247
1-(4-ethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62841185

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(4-ethylphenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol (CID 60909876) is 1-(4-ethylphenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(4-ethylphenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(4-ethylphenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol is CCc1ccc(OCC(O)CNC(C)CO)cc1.
What is the InChIKey of 1-(4-ethylphenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol?
The InChIKey is YXIYIIUFWUPEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-12-4-6-14(7-5-12)18-10-13(17)8-15-11(2)9-16/h4-7,11,13,15-17H,3,8-10H2,1-2H3.
What are the key properties of 1-(4-ethylphenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol?
1-(4-ethylphenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol has a molecular weight of 253.34 g/mol, XLogP of 0.96, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol is sourced from PubChem (CID 60909876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).