1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol

C12H15F2NO — CID 62772825

IUPAC1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol
SMILESCC(O)(CNC1CC1)c1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO/c1-12(16,7-15-9-3-4-9)10-5-2-8(13)6-11(10)14/h2,5-6,9,15-16H,3-4,7H2,1H3
InChIKeyFFWPVNGJTQBXIX-UHFFFAOYSA-N
MW227.25 g/mol
LogP1.92
Rot. Bonds4

About 1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol

1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol (PubChem CID 62772825) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol
PubChem CID62772825
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol
SMILESCC(O)(CNC1CC1)c1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO/c1-12(16,7-15-9-3-4-9)10-5-2-8(13)6-11(10)14/h2,5-6,9,15-16H,3-4,7H2,1H3
InChIKeyFFWPVNGJTQBXIX-UHFFFAOYSA-N
XLogP1.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-difluorophenyl)-2-methylpropyl]piperidin-4-amine
CID 115118563
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide
CID 111335363
2-(2,4-difluorophenyl)propane-1,2-diol
CID 22107607
1-(cyclopropylamino)-2-(2,5-dichlorophenyl)propan-2-ol
CID 62773402
1-(1-cyclobutylethyl)-3-[2-(2,4-difluorophenyl)-2-hydroxypropyl]urea
CID 109491044
1-(cyclopropylamino)-2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 107290618
1-(cyclopropylamino)-2-(3-fluoro-5-methylphenyl)propan-2-ol
CID 79704774
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide
CID 111335414
cis-(1R,2S)-2-[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132235
1-cyclopropyl-1-(2,4-difluorophenyl)ethanol
CID 24749679
1-amino-2-(2,4-difluorophenyl)propan-2-ol;hydrochloride
CID 54593269
2-(2,4-difluorophenyl)-1-[(3-fluorophenyl)methylamino]propan-2-ol
CID 111334411

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol (CID 62772825) is 1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol is CC(O)(CNC1CC1)c1ccc(F)cc1F.
What is the InChIKey of 1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol?
The InChIKey is FFWPVNGJTQBXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-12(16,7-15-9-3-4-9)10-5-2-8(13)6-11(10)14/h2,5-6,9,15-16H,3-4,7H2,1H3.
What are the key properties of 1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol?
1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol has a molecular weight of 227.25 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol is sourced from PubChem (CID 62772825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).