(2S)-1-(4-ethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol

C14H23NO3 — CID 39356436

IUPAC(2S)-1-(4-ethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
SMILESCCc1ccc(OC[C@@H](O)CNCCOC)cc1
InChIInChI=1S/C14H23NO3/c1-3-12-4-6-14(7-5-12)18-11-13(16)10-15-8-9-17-2/h4-7,13,15-16H,3,8-11H2,1-2H3/t13-/m0/s1
InChIKeyUBBMPKILTJFRJP-ZDUSSCGKSA-N
MW253.34 g/mol
LogP1.22
Rot. Bonds9

About (2S)-1-(4-ethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol

(2S)-1-(4-ethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol (PubChem CID 39356436) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is (2S)-1-(4-ethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-ethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
PubChem CID39356436
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name(2S)-1-(4-ethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
SMILESCCc1ccc(OC[C@@H](O)CNCCOC)cc1
InChIInChI=1S/C14H23NO3/c1-3-12-4-6-14(7-5-12)18-11-13(16)10-15-8-9-17-2/h4-7,13,15-16H,3,8-11H2,1-2H3/t13-/m0/s1
InChIKeyUBBMPKILTJFRJP-ZDUSSCGKSA-N
XLogP1.22
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]butan-2-ol
CID 64911209
1-(3,3-dimethylbutylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 115581071
5-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]pentan-2-ol
CID 106131486
1-(4-ethylphenoxy)-3-(4-methylpentylamino)propan-2-ol
CID 60745292
1-(4-ethylphenoxy)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62640128
4-[2-hydroxy-3-(2-methoxyethylamino)propoxy]benzamide
CID 115475945
1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol
CID 43188012
1-(4-ethylphenoxy)-3-(4,4,4-trifluorobutylamino)propan-2-ol
CID 115518304
1-(3,5-dimethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60633357
1-(4-ethylphenoxy)-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 60969765
(2S)-1-(4-chloro-3-methylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39372938
3-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]-4-methoxybutan-1-ol
CID 106159851

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-ethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol?
The IUPAC name of (2S)-1-(4-ethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol (CID 39356436) is (2S)-1-(4-ethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol.
What is the SMILES notation for (2S)-1-(4-ethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol?
The canonical SMILES for (2S)-1-(4-ethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol is CCc1ccc(OC[C@@H](O)CNCCOC)cc1.
What is the InChIKey of (2S)-1-(4-ethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol?
The InChIKey is UBBMPKILTJFRJP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-12-4-6-14(7-5-12)18-11-13(16)10-15-8-9-17-2/h4-7,13,15-16H,3,8-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-1-(4-ethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol?
(2S)-1-(4-ethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol has a molecular weight of 253.34 g/mol, XLogP of 1.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-ethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol is sourced from PubChem (CID 39356436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).