1-(2-methoxy-5-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol

C13H17F4NO2 — CID 106291344

IUPAC1-(2-methoxy-5-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol
SMILESCOc1ccc(C)cc1C(O)CNCC(F)(F)C(F)F
InChIInChI=1S/C13H17F4NO2/c1-8-3-4-11(20-2)9(5-8)10(19)6-18-7-13(16,17)12(14)15/h3-5,10,12,18-19H,6-7H2,1-2H3
InChIKeyKAEZFUOWLAMVLY-UHFFFAOYSA-N
MW295.28 g/mol
LogP2.53
Rot. Bonds7

About 1-(2-methoxy-5-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol

1-(2-methoxy-5-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol (PubChem CID 106291344) has the molecular formula C13H17F4NO2 and a molecular weight of 295.28 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol
PubChem CID106291344
Molecular FormulaC13H17F4NO2
Molecular Weight295.28 g/mol
Exact Mass295.12
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol
SMILESCOc1ccc(C)cc1C(O)CNCC(F)(F)C(F)F
InChIInChI=1S/C13H17F4NO2/c1-8-3-4-11(20-2)9(5-8)10(19)6-18-7-13(16,17)12(14)15/h3-5,10,12,18-19H,6-7H2,1-2H3
InChIKeyKAEZFUOWLAMVLY-UHFFFAOYSA-N
XLogP2.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol
CID 65106127
2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901325
1-(2-methoxy-5-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 60897173
2-(benzylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60896859
1-[[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 65108728
methyl 4-hydroxy-4-(2-methoxy-5-methylphenyl)butanoate
CID 82347001
1-(2-methoxy-5-methylphenyl)-2-(2-methylanilino)ethanol
CID 60900549
1,1,1-trifluoro-3-[1-(2-methoxy-5-methylphenyl)ethylamino]propan-2-ol
CID 103778660
1-(2-methoxy-5-methylphenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol
CID 104760706
1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol
CID 114955325
(1R)-1-(2-methoxy-5-methylphenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol
CID 95350933
N-[2,2-difluoro-2-(2-methoxy-5-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 83107386

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol (CID 106291344) is 1-(2-methoxy-5-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol is COc1ccc(C)cc1C(O)CNCC(F)(F)C(F)F.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol?
The InChIKey is KAEZFUOWLAMVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4NO2/c1-8-3-4-11(20-2)9(5-8)10(19)6-18-7-13(16,17)12(14)15/h3-5,10,12,18-19H,6-7H2,1-2H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol?
1-(2-methoxy-5-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol has a molecular weight of 295.28 g/mol, XLogP of 2.53, 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-(2,2,3,3-tetrafluoropropylamino)ethanol is sourced from PubChem (CID 106291344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).