1-(2,4-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]ethanol

C13H17F2NO — CID 115694377

IUPAC1-(2,4-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]ethanol
SMILESCC1CC1CNCC(O)c1ccc(F)cc1F
InChIInChI=1S/C13H17F2NO/c1-8-4-9(8)6-16-7-13(17)11-3-2-10(14)5-12(11)15/h2-3,5,8-9,13,16-17H,4,6-7H2,1H3
InChIKeyMBBIYGAIECCXJC-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.24
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]ethanol

1-(2,4-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]ethanol (PubChem CID 115694377) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]ethanol
PubChem CID115694377
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name1-(2,4-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]ethanol
SMILESCC1CC1CNCC(O)c1ccc(F)cc1F
InChIInChI=1S/C13H17F2NO/c1-8-4-9(8)6-16-7-13(17)11-3-2-10(14)5-12(11)15/h2-3,5,8-9,13,16-17H,4,6-7H2,1H3
InChIKeyMBBIYGAIECCXJC-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 106133375
1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904159
1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905470
3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol
CID 66170151
1-(2,4-difluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol
CID 115651887
1-(2,4-difluorophenyl)-2-(oxan-2-ylmethylamino)ethanol
CID 54941852
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-methylacetamide
CID 60901420
3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]pentan-3-ol
CID 65111103
2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol
CID 60900936
1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol
CID 54937805
1-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol
CID 65108673
1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol
CID 103710489

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]ethanol (CID 115694377) is 1-(2,4-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]ethanol is CC1CC1CNCC(O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]ethanol?
The InChIKey is MBBIYGAIECCXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-8-4-9(8)6-16-7-13(17)11-3-2-10(14)5-12(11)15/h2-3,5,8-9,13,16-17H,4,6-7H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]ethanol?
1-(2,4-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]ethanol has a molecular weight of 241.28 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]ethanol is sourced from PubChem (CID 115694377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).