1-[ethoxy(methyl)amino]-1-phenylethanol

C11H17NO2 — CID 88599607

IUPAC1-[ethoxy(methyl)amino]-1-phenylethanol
SMILESCCON(C)C(C)(O)c1ccccc1
InChIInChI=1S/C11H17NO2/c1-4-14-12(3)11(2,13)10-8-6-5-7-9-10/h5-9,13H,4H2,1-3H3
InChIKeyPNMLPVWHIWQUOF-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.73
Rot. Bonds4

About 1-[ethoxy(methyl)amino]-1-phenylethanol

1-[ethoxy(methyl)amino]-1-phenylethanol (PubChem CID 88599607) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-[ethoxy(methyl)amino]-1-phenylethanol.

Molecular Properties

Compound Name1-[ethoxy(methyl)amino]-1-phenylethanol
PubChem CID88599607
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-[ethoxy(methyl)amino]-1-phenylethanol
SMILESCCON(C)C(C)(O)c1ccccc1
InChIInChI=1S/C11H17NO2/c1-4-14-12(3)11(2,13)10-8-6-5-7-9-10/h5-9,13H,4H2,1-3H3
InChIKeyPNMLPVWHIWQUOF-UHFFFAOYSA-N
XLogP1.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-Methylephedrine
CID 4374
Methylephedrine
CID 64782
(1S,2S)-(+)-N-Methylpseudoephedrine
CID 7059596
Methylephedrine, (+)-
CID 102023
2-(1,1-Dimethylethyl)-3-phenyloxaziridine
CID 98371
(2-Methyl-3,5-diphenyl-2,3-dihydro-4-isoxazolyl)methanol
CID 15945698
DL-Methylephedrine saccharinate
CID 9851505
3-[Benzyl(propan-2-yl)amino]-1-phenylpropan-1-ol
CID 59570682
(1R,2R)-(-)-N-Methylpseudoephedrin
CID 5706040
Methylephedrine-N-oxide
CID 13509426
2-[(2-Hydroxyethyl)methylamino]-1-phenylethanol
CID 4668919
(1-Hydroxy-1-phenylpropan-2-yl)-trimethylazanium
CID 3026675

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(methyl)amino]-1-phenylethanol?
The IUPAC name of 1-[ethoxy(methyl)amino]-1-phenylethanol (CID 88599607) is 1-[ethoxy(methyl)amino]-1-phenylethanol.
What is the SMILES notation for 1-[ethoxy(methyl)amino]-1-phenylethanol?
The canonical SMILES for 1-[ethoxy(methyl)amino]-1-phenylethanol is CCON(C)C(C)(O)c1ccccc1.
What is the InChIKey of 1-[ethoxy(methyl)amino]-1-phenylethanol?
The InChIKey is PNMLPVWHIWQUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-14-12(3)11(2,13)10-8-6-5-7-9-10/h5-9,13H,4H2,1-3H3.
What are the key properties of 1-[ethoxy(methyl)amino]-1-phenylethanol?
1-[ethoxy(methyl)amino]-1-phenylethanol has a molecular weight of 195.26 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(methyl)amino]-1-phenylethanol is sourced from PubChem (CID 88599607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).