2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol

C17H21NO2 — CID 63182690

IUPAC2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol
SMILESCCOc1cccc(CNC(CO)c2ccccc2)c1
InChIInChI=1S/C17H21NO2/c1-2-20-16-10-6-7-14(11-16)12-18-17(13-19)15-8-4-3-5-9-15/h3-11,17-19H,2,12-13H2,1H3
InChIKeyRHMGYRKHUBJUHG-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.91
Rot. Bonds7

About 2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol

2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol (PubChem CID 63182690) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol.

Molecular Properties

Compound Name2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol
PubChem CID63182690
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol
SMILESCCOc1cccc(CNC(CO)c2ccccc2)c1
InChIInChI=1S/C17H21NO2/c1-2-20-16-10-6-7-14(11-16)12-18-17(13-19)15-8-4-3-5-9-15/h3-11,17-19H,2,12-13H2,1H3
InChIKeyRHMGYRKHUBJUHG-UHFFFAOYSA-N
XLogP2.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[(3-ethoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 111449990
2-phenyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethanol
CID 111421772
(2R)-2-[(3-ethoxyphenyl)methylamino]butan-1-ol
CID 40727274
2-ethoxy-4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenol
CID 107862653
1-phenyl-N-[(3-propoxyphenyl)methyl]propan-1-amine
CID 54848596
2-[(3-ethoxyphenyl)methylamino]propanoic acid
CID 61499824
2-(3-ethoxyphenyl)-2-(propylamino)ethanol
CID 61056607
2-[(3-cyclopentyloxyphenyl)methylamino]-2-phenylethanol
CID 111421775
N-[[3-(2-methoxyethoxy)phenyl]methyl]-1-phenylpropan-1-amine
CID 54848728
3-[(3-ethoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 111469199
2-[(4-butoxyphenyl)methylamino]-2-phenylethanol
CID 119134482
(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
CID 40726178

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol?
The IUPAC name of 2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol (CID 63182690) is 2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol.
What is the SMILES notation for 2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol?
The canonical SMILES for 2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol is CCOc1cccc(CNC(CO)c2ccccc2)c1.
What is the InChIKey of 2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol?
The InChIKey is RHMGYRKHUBJUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-20-16-10-6-7-14(11-16)12-18-17(13-19)15-8-4-3-5-9-15/h3-11,17-19H,2,12-13H2,1H3.
What are the key properties of 2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol?
2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol has a molecular weight of 271.36 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol is sourced from PubChem (CID 63182690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).