1-[2-(2,4-difluorophenyl)ethylamino]-2-methylpropan-2-ol

C12H17F2NO — CID 96659942

IUPAC1-[2-(2,4-difluorophenyl)ethylamino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNCCc1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO/c1-12(2,16)8-15-6-5-9-3-4-10(13)7-11(9)14/h3-4,7,15-16H,5-6,8H2,1-2H3
InChIKeyDDLGTWGTKLQULF-UHFFFAOYSA-N
MW229.27 g/mol
LogP1.87
Rot. Bonds5

About 1-[2-(2,4-difluorophenyl)ethylamino]-2-methylpropan-2-ol

1-[2-(2,4-difluorophenyl)ethylamino]-2-methylpropan-2-ol (PubChem CID 96659942) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)ethylamino]-2-methylpropan-2-ol
PubChem CID96659942
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name1-[2-(2,4-difluorophenyl)ethylamino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNCCc1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO/c1-12(2,16)8-15-6-5-9-3-4-10(13)7-11(9)14/h3-4,7,15-16H,5-6,8H2,1-2H3
InChIKeyDDLGTWGTKLQULF-UHFFFAOYSA-N
XLogP1.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,4-difluorophenyl)ethyl]-2,2-dimethylbutane-1,4-diamine
CID 115204562
1-[2-(5-chloro-2-fluorophenyl)ethylamino]-2-methylpropan-2-ol
CID 96662686
1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol
CID 60885487
1-[2-(3-fluorophenyl)ethylamino]-2-methylpropan-2-ol
CID 60885285
N'-[2-(2,4-difluorophenyl)ethyl]methanediamine
CID 115226055
N'-[2-(2,4-difluorophenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202122
3-[2-(2,5-difluorophenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115135457
1-[2-(4-fluoro-2-methylphenyl)ethylamino]-2,3-dimethylbutan-2-ol
CID 114493387
N-[2-(2-chloro-4-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 115626035
3-[2-(2,4-difluorophenyl)ethylamino]propane-1-thiol
CID 115225126
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpropan-2-ol
CID 78927299
5-(2,4-difluorophenyl)-3,3-dimethylpentan-1-amine
CID 65300561

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-(2,4-difluorophenyl)ethylamino]-2-methylpropan-2-ol (CID 96659942) is 1-[2-(2,4-difluorophenyl)ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)ethylamino]-2-methylpropan-2-ol is CC(C)(O)CNCCc1ccc(F)cc1F.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)ethylamino]-2-methylpropan-2-ol?
The InChIKey is DDLGTWGTKLQULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-12(2,16)8-15-6-5-9-3-4-10(13)7-11(9)14/h3-4,7,15-16H,5-6,8H2,1-2H3.
What are the key properties of 1-[2-(2,4-difluorophenyl)ethylamino]-2-methylpropan-2-ol?
1-[2-(2,4-difluorophenyl)ethylamino]-2-methylpropan-2-ol has a molecular weight of 229.27 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 96659942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).