1-(2-methoxyethylamino)-2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-ol

C14H20F3NO2 — CID 102756270

IUPAC1-(2-methoxyethylamino)-2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-ol
SMILESCOCCNCC(C)(O)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C14H20F3NO2/c1-10-8-11(14(15,16)17)4-5-12(10)13(2,19)9-18-6-7-20-3/h4-5,8,18-19H,6-7,9H2,1-3H3
InChIKeyXIWVZZHFABNYIN-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.46
Rot. Bonds6

About 1-(2-methoxyethylamino)-2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-ol

1-(2-methoxyethylamino)-2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 102756270) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-(2-methoxyethylamino)-2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethylamino)-2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID102756270
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name1-(2-methoxyethylamino)-2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-ol
SMILESCOCCNCC(C)(O)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C14H20F3NO2/c1-10-8-11(14(15,16)17)4-5-12(10)13(2,19)9-18-6-7-20-3/h4-5,8,18-19H,6-7,9H2,1-3H3
InChIKeyXIWVZZHFABNYIN-UHFFFAOYSA-N
XLogP2.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.46
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-(2-methoxy-3,4-dimethylphenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 103434611
2-(3,4-dimethoxyphenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 62773797
2-(2,4-dichloro-5-fluorophenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 62774391
1-(2-methoxyethylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 62775363
2-ethyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 62596429
2-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-2-ol
CID 102751228
2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 62772834
2-(5-fluoro-3-pyridinyl)-1-(2-methoxyethylamino)propan-2-ol
CID 66037072
1-(2-methoxyethylamino)-2-pyrimidin-5-ylpropan-2-ol
CID 66038263
1-(2-methoxyethylamino)-2-quinolin-7-ylpropan-2-ol
CID 81221998
2-(2-methoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 113220833
2-(2-methoxyethylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide
CID 119893578

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylamino)-2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 1-(2-methoxyethylamino)-2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-ol (CID 102756270) is 1-(2-methoxyethylamino)-2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethylamino)-2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-(2-methoxyethylamino)-2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-ol is COCCNCC(C)(O)c1ccc(C(F)(F)F)cc1C.
What is the InChIKey of 1-(2-methoxyethylamino)-2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is XIWVZZHFABNYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-10-8-11(14(15,16)17)4-5-12(10)13(2,19)9-18-6-7-20-3/h4-5,8,18-19H,6-7,9H2,1-3H3.
What are the key properties of 1-(2-methoxyethylamino)-2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-ol?
1-(2-methoxyethylamino)-2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 291.31 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylamino)-2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 102756270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).