2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol

C12H19NO2 — CID 62772806

IUPAC2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol
SMILESCCOc1ccc(C(C)(O)CNC)cc1
InChIInChI=1S/C12H19NO2/c1-4-15-11-7-5-10(6-8-11)12(2,14)9-13-3/h5-8,13-14H,4,9H2,1-3H3
InChIKeySBXWPGNXEPUUCN-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.51
Rot. Bonds5

About 2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol

2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol (PubChem CID 62772806) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol
PubChem CID62772806
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol
SMILESCCOc1ccc(C(C)(O)CNC)cc1
InChIInChI=1S/C12H19NO2/c1-4-15-11-7-5-10(6-8-11)12(2,14)9-13-3/h5-8,13-14H,4,9H2,1-3H3
InChIKeySBXWPGNXEPUUCN-UHFFFAOYSA-N
XLogP1.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(tert-butylamino)-2-(4-ethoxyphenyl)propan-2-ol
CID 62773212
N'-[2-(4-ethoxyphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227480
3-(4-ethoxyphenyl)-N,3-dimethylbutan-1-amine
CID 79830478
ethyl 3-(4-ethoxyphenyl)-3-hydroxybutanoate
CID 55071355
2-(4-ethoxyphenyl)-3-[2-(4-ethoxyphenyl)propan-2-yloxy]butan-2-ol
CID 129179765
1-[(4-ethoxyphenyl)methylamino]-2-phenylpropan-2-ol
CID 111121689
3-(4-ethoxyphenyl)pentan-3-ol
CID 62788135
(2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol
CID 94601213
N-[2-ethoxy-5-[2-hydroxy-1-(methylamino)propan-2-yl]phenyl]acetamide
CID 112513667
2-(4-ethoxyphenyl)-1,1-difluoropropan-2-ol
CID 80604410
4-(4-ethoxyphenyl)heptan-4-ol
CID 114865928
2-(4-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003253

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol?
The IUPAC name of 2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol (CID 62772806) is 2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol is CCOc1ccc(C(C)(O)CNC)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol?
The InChIKey is SBXWPGNXEPUUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-15-11-7-5-10(6-8-11)12(2,14)9-13-3/h5-8,13-14H,4,9H2,1-3H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol?
2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol is sourced from PubChem (CID 62772806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).