1-(2-methoxy-5-methylphenyl)-2-(2-phenylethylamino)ethanol

C18H23NO2 — CID 60897173

IUPAC1-(2-methoxy-5-methylphenyl)-2-(2-phenylethylamino)ethanol
SMILESCOc1ccc(C)cc1C(O)CNCCc1ccccc1
InChIInChI=1S/C18H23NO2/c1-14-8-9-18(21-2)16(12-14)17(20)13-19-11-10-15-6-4-3-5-7-15/h3-9,12,17,19-20H,10-11,13H2,1-2H3
InChIKeyZIUIFOFWGRWOHK-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.87
Rot. Bonds7

About 1-(2-methoxy-5-methylphenyl)-2-(2-phenylethylamino)ethanol

1-(2-methoxy-5-methylphenyl)-2-(2-phenylethylamino)ethanol (PubChem CID 60897173) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-(2-phenylethylamino)ethanol.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-(2-phenylethylamino)ethanol
PubChem CID60897173
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-(2-phenylethylamino)ethanol
SMILESCOc1ccc(C)cc1C(O)CNCCc1ccccc1
InChIInChI=1S/C18H23NO2/c1-14-8-9-18(21-2)16(12-14)17(20)13-19-11-10-15-6-4-3-5-7-15/h3-9,12,17,19-20H,10-11,13H2,1-2H3
InChIKeyZIUIFOFWGRWOHK-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(benzylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60896859
(1R)-1-(2-methoxy-5-methylphenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol
CID 95350933
1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 112501683
1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol
CID 65106127
1-(2-methoxy-5-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol
CID 106291344
1-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanol;hydrochloride
CID 21406688
1-(2-methoxy-5-methylphenyl)-2-(2-methylanilino)ethanol
CID 60900549
1-(2-chlorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol
CID 62315005
2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901325
1-(2-methoxy-5-methylphenyl)-1-phenylmethoxypropan-2-ol
CID 69346055
(1R)-2-[2-(3-chloro-4-methoxyphenyl)ethylamino]-1-phenylethanol
CID 7319732
1-[[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 65108728

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(2-phenylethylamino)ethanol?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(2-phenylethylamino)ethanol (CID 60897173) is 1-(2-methoxy-5-methylphenyl)-2-(2-phenylethylamino)ethanol.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-(2-phenylethylamino)ethanol?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-(2-phenylethylamino)ethanol is COc1ccc(C)cc1C(O)CNCCc1ccccc1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-(2-phenylethylamino)ethanol?
The InChIKey is ZIUIFOFWGRWOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14-8-9-18(21-2)16(12-14)17(20)13-19-11-10-15-6-4-3-5-7-15/h3-9,12,17,19-20H,10-11,13H2,1-2H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-(2-phenylethylamino)ethanol?
1-(2-methoxy-5-methylphenyl)-2-(2-phenylethylamino)ethanol has a molecular weight of 285.39 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-2-(2-phenylethylamino)ethanol is sourced from PubChem (CID 60897173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).