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

C13H17F2NO — CID 111977227

IUPAC1-cyclopropyl-2-[(2,4-difluorophenyl)methyl-methylamino]ethanol
SMILESCN(Cc1ccc(F)cc1F)CC(O)C1CC1
InChIInChI=1S/C13H17F2NO/c1-16(8-13(17)9-2-3-9)7-10-4-5-11(14)6-12(10)15/h4-6,9,13,17H,2-3,7-8H2,1H3
InChIKeyJOIQMIZSMUZFHJ-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.17
Rot. Bonds5

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

1-cyclopropyl-2-[(2,4-difluorophenyl)methyl-methylamino]ethanol (PubChem CID 111977227) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(2,4-difluorophenyl)methyl-methylamino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[(2,4-difluorophenyl)methyl-methylamino]ethanol
PubChem CID111977227
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name1-cyclopropyl-2-[(2,4-difluorophenyl)methyl-methylamino]ethanol
SMILESCN(Cc1ccc(F)cc1F)CC(O)C1CC1
InChIInChI=1S/C13H17F2NO/c1-16(8-13(17)9-2-3-9)7-10-4-5-11(14)6-12(10)15/h4-6,9,13,17H,2-3,7-8H2,1H3
InChIKeyJOIQMIZSMUZFHJ-UHFFFAOYSA-N
XLogP2.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-2-[(3-fluorophenyl)methyl-methylamino]ethanol
CID 111858608
2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol
CID 115252142
1-cyclohexyl-2-[(4-fluorophenyl)methyl-methylamino]ethanol
CID 104752723
3-[(2,4-difluorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 62197976
[(2,4-difluorophenyl)methyl-methylamino]methanol
CID 115229150
3-N-[(2,4-difluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119850
2-[(4-chlorophenyl)methyl-methylamino]-1-cyclopropylethanol
CID 111858655
1-cyclopropyl-2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]ethanol
CID 111858572
1-cyclohexyl-2-(2,4-difluorophenyl)ethanol
CID 62195897
3-amino-4-[(2,4-difluorophenyl)methyl-methylamino]butanoic acid
CID 115241759
N-cyclopropyl-N'-[(2,4-difluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62195867
1-[(2,4-difluorophenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 134001793

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(2,4-difluorophenyl)methyl-methylamino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[(2,4-difluorophenyl)methyl-methylamino]ethanol (CID 111977227) is 1-cyclopropyl-2-[(2,4-difluorophenyl)methyl-methylamino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[(2,4-difluorophenyl)methyl-methylamino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[(2,4-difluorophenyl)methyl-methylamino]ethanol is CN(Cc1ccc(F)cc1F)CC(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[(2,4-difluorophenyl)methyl-methylamino]ethanol?
The InChIKey is JOIQMIZSMUZFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-16(8-13(17)9-2-3-9)7-10-4-5-11(14)6-12(10)15/h4-6,9,13,17H,2-3,7-8H2,1H3.
What are the key properties of 1-cyclopropyl-2-[(2,4-difluorophenyl)methyl-methylamino]ethanol?
1-cyclopropyl-2-[(2,4-difluorophenyl)methyl-methylamino]ethanol has a molecular weight of 241.28 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(2,4-difluorophenyl)methyl-methylamino]ethanol is sourced from PubChem (CID 111977227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).