3-(2-ethylphenoxy)-2-(methylamino)-2-phenylpropan-1-ol

C18H23NO2 — CID 64806249

IUPAC3-(2-ethylphenoxy)-2-(methylamino)-2-phenylpropan-1-ol
SMILESCCc1ccccc1OCC(CO)(NC)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-3-15-9-7-8-12-17(15)21-14-18(13-20,19-2)16-10-5-4-6-11-16/h4-12,19-20H,3,13-14H2,1-2H3
InChIKeyJXGRGVGJVCMMTQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.73
Rot. Bonds7

About 3-(2-ethylphenoxy)-2-(methylamino)-2-phenylpropan-1-ol

3-(2-ethylphenoxy)-2-(methylamino)-2-phenylpropan-1-ol (PubChem CID 64806249) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(2-ethylphenoxy)-2-(methylamino)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(2-ethylphenoxy)-2-(methylamino)-2-phenylpropan-1-ol
PubChem CID64806249
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-(2-ethylphenoxy)-2-(methylamino)-2-phenylpropan-1-ol
SMILESCCc1ccccc1OCC(CO)(NC)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-3-15-9-7-8-12-17(15)21-14-18(13-20,19-2)16-10-5-4-6-11-16/h4-12,19-20H,3,13-14H2,1-2H3
InChIKeyJXGRGVGJVCMMTQ-UHFFFAOYSA-N
XLogP2.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethylphenoxy)-2,2-dimethylpropanehydrazide
CID 79626636
3-butylsulfanyl-2-(methylamino)-2-phenylpropan-1-ol
CID 64819019
3-(4,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol
CID 114342759
N-ethyl-3-(2-ethylphenoxy)-2,2-dimethylpropan-1-amine
CID 79627245
3-(3-ethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol
CID 64807326
3-(3,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol
CID 64807323
4-methoxy-3-(methylamino)-3-phenylbutan-1-ol
CID 103466320
3-(N-ethylanilino)-2-(methylamino)-2-phenylpropan-1-ol
CID 64797612
4-methoxy-3-(methylamino)-3-phenylbutanamide
CID 103466300
4-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695556
2-(methylamino)-3-[methyl(propyl)amino]-2-phenylpropan-1-ol
CID 64796564
2-(methylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol
CID 116695488

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenoxy)-2-(methylamino)-2-phenylpropan-1-ol?
The IUPAC name of 3-(2-ethylphenoxy)-2-(methylamino)-2-phenylpropan-1-ol (CID 64806249) is 3-(2-ethylphenoxy)-2-(methylamino)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-(2-ethylphenoxy)-2-(methylamino)-2-phenylpropan-1-ol?
The canonical SMILES for 3-(2-ethylphenoxy)-2-(methylamino)-2-phenylpropan-1-ol is CCc1ccccc1OCC(CO)(NC)c1ccccc1.
What is the InChIKey of 3-(2-ethylphenoxy)-2-(methylamino)-2-phenylpropan-1-ol?
The InChIKey is JXGRGVGJVCMMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-15-9-7-8-12-17(15)21-14-18(13-20,19-2)16-10-5-4-6-11-16/h4-12,19-20H,3,13-14H2,1-2H3.
What are the key properties of 3-(2-ethylphenoxy)-2-(methylamino)-2-phenylpropan-1-ol?
3-(2-ethylphenoxy)-2-(methylamino)-2-phenylpropan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenoxy)-2-(methylamino)-2-phenylpropan-1-ol is sourced from PubChem (CID 64806249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).