4-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]butan-2-ol

C15H25NO3 — CID 64911209

IUPAC4-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]butan-2-ol
SMILESCCc1ccc(OCC(O)CNCCC(C)O)cc1
InChIInChI=1S/C15H25NO3/c1-3-13-4-6-15(7-5-13)19-11-14(18)10-16-9-8-12(2)17/h4-7,12,14,16-18H,3,8-11H2,1-2H3
InChIKeyNVRZKMHYGICLLN-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.35
Rot. Bonds9

About 4-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]butan-2-ol

4-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]butan-2-ol (PubChem CID 64911209) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]butan-2-ol
PubChem CID64911209
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name4-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]butan-2-ol
SMILESCCc1ccc(OCC(O)CNCCC(C)O)cc1
InChIInChI=1S/C15H25NO3/c1-3-13-4-6-15(7-5-13)19-11-14(18)10-16-9-8-12(2)17/h4-7,12,14,16-18H,3,8-11H2,1-2H3
InChIKeyNVRZKMHYGICLLN-UHFFFAOYSA-N
XLogP1.35
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]pentan-2-ol
CID 106131486
1-(4-ethylphenoxy)-3-(4-methylpentylamino)propan-2-ol
CID 60745292
4-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]butan-2-ol
CID 64913738
(2S)-1-(4-ethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39356436
1-(4-ethylphenoxy)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62640128
1-(3,3-dimethylbutylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 115581071
1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol
CID 43188012
1-(4-ethylphenoxy)-3-(4,4,4-trifluorobutylamino)propan-2-ol
CID 115518304
1-(4-ethylphenoxy)-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 60969765
1-(4-ethylphenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol
CID 60909876
(2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787572
(2S)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787574

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]butan-2-ol?
The IUPAC name of 4-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]butan-2-ol (CID 64911209) is 4-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]butan-2-ol.
What is the SMILES notation for 4-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]butan-2-ol?
The canonical SMILES for 4-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]butan-2-ol is CCc1ccc(OCC(O)CNCCC(C)O)cc1.
What is the InChIKey of 4-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]butan-2-ol?
The InChIKey is NVRZKMHYGICLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-13-4-6-15(7-5-13)19-11-14(18)10-16-9-8-12(2)17/h4-7,12,14,16-18H,3,8-11H2,1-2H3.
What are the key properties of 4-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]butan-2-ol?
4-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]butan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 1.35, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]butan-2-ol is sourced from PubChem (CID 64911209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).