1-[3-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol

C12H17F2NO2 — CID 115529301

IUPAC1-[3-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol
SMILESCOCCNCC(O)c1cccc(C(F)F)c1
InChIInChI=1S/C12H17F2NO2/c1-17-6-5-15-8-11(16)9-3-2-4-10(7-9)12(13)14/h2-4,7,11-12,15-16H,5-6,8H2,1H3
InChIKeyZNIFTVYBWGTQRN-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.89
Rot. Bonds7

About 1-[3-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol

1-[3-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol (PubChem CID 115529301) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol.

Molecular Properties

Compound Name1-[3-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol
PubChem CID115529301
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC Name1-[3-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol
SMILESCOCCNCC(O)c1cccc(C(F)F)c1
InChIInChI=1S/C12H17F2NO2/c1-17-6-5-15-8-11(16)9-3-2-4-10(7-9)12(13)14/h2-4,7,11-12,15-16H,5-6,8H2,1H3
InChIKeyZNIFTVYBWGTQRN-UHFFFAOYSA-N
XLogP1.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.89
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

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CID 60903871
N-[3-[1-hydroxy-2-(2-methoxyethylamino)ethyl]phenyl]-N'-propan-2-yloxamide;hydrochloride
CID 70704157
1-(3-chloro-4-methylphenyl)-2-(2-methoxyethylamino)ethanol
CID 106818725
1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 113450094
1-(4-bromo-3-methylphenyl)-2-(2-methoxyethylamino)ethanol
CID 66481306
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60904141
1-(4-chloro-3-methoxyphenyl)-2-(2-methoxyethylamino)ethanol
CID 79699447
1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)ethanol
CID 65026713
2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol
CID 78966701
1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol
CID 62774538
1-(3-methoxyphenyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol
CID 78966774
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-1-methoxybutan-2-ol
CID 106246707

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol?
The IUPAC name of 1-[3-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol (CID 115529301) is 1-[3-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol.
What is the SMILES notation for 1-[3-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol?
The canonical SMILES for 1-[3-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol is COCCNCC(O)c1cccc(C(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol?
The InChIKey is ZNIFTVYBWGTQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-17-6-5-15-8-11(16)9-3-2-4-10(7-9)12(13)14/h2-4,7,11-12,15-16H,5-6,8H2,1H3.
What are the key properties of 1-[3-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol?
1-[3-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol has a molecular weight of 245.27 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol is sourced from PubChem (CID 115529301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).