1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol

C12H19NO2 — CID 43188012

IUPAC1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol
SMILESCCc1ccc(OCC(O)CNC)cc1
InChIInChI=1S/C12H19NO2/c1-3-10-4-6-12(7-5-10)15-9-11(14)8-13-2/h4-7,11,13-14H,3,8-9H2,1-2H3
InChIKeyMJSKFSOMTVXVSE-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.21
Rot. Bonds6

About 1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol

1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol (PubChem CID 43188012) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol
PubChem CID43188012
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol
SMILESCCc1ccc(OCC(O)CNC)cc1
InChIInChI=1S/C12H19NO2/c1-3-10-4-6-12(7-5-10)15-9-11(14)8-13-2/h4-7,11,13-14H,3,8-9H2,1-2H3
InChIKeyMJSKFSOMTVXVSE-UHFFFAOYSA-N
XLogP1.21
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylphenoxy)-3-(methylamino)propan-2-ol
CID 62274722
(2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787572
(2S)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787574
1-(4-ethylphenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol
CID 60909876
1-(4-ethylphenoxy)-3-(4-methylpentylamino)propan-2-ol
CID 60745292
[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 6940355
1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 18838017
3-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]-2,3-dimethylbutan-2-ol
CID 106190087
4-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]butan-2-ol
CID 64911209
(2S)-1-(4-ethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39356436
1-(methylamino)-3-(4-methylsulfanylphenoxy)propan-2-ol
CID 63647814
1-(3,3-dimethylbutylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 115581071

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol?
The IUPAC name of 1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol (CID 43188012) is 1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol is CCc1ccc(OCC(O)CNC)cc1.
What is the InChIKey of 1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol?
The InChIKey is MJSKFSOMTVXVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-10-4-6-12(7-5-10)15-9-11(14)8-13-2/h4-7,11,13-14H,3,8-9H2,1-2H3.
What are the key properties of 1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol?
1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol is sourced from PubChem (CID 43188012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).