2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanol

C14H19F2NO — CID 110897757

IUPAC2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanol
SMILESCC(C1CC1)N(C)CC(O)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO/c1-9(10-3-4-10)17(2)8-14(18)12-6-5-11(15)7-13(12)16/h5-7,9-10,14,18H,3-4,8H2,1-2H3
InChIKeyYRNLYTCBMWJESS-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.73
Rot. Bonds5

About 2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanol

2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanol (PubChem CID 110897757) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanol
PubChem CID110897757
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanol
SMILESCC(C1CC1)N(C)CC(O)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO/c1-9(10-3-4-10)17(2)8-14(18)12-6-5-11(15)7-13(12)16/h5-7,9-10,14,18H,3-4,8H2,1-2H3
InChIKeyYRNLYTCBMWJESS-UHFFFAOYSA-N
XLogP2.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(1-cyclopropylethyl)-1-(2,5-difluorophenyl)-N'-methylethane-1,2-diamine
CID 107519713
2-[cyclopropyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 110897810
2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 111118143
2-[cyclopropyl(2,2-difluoroethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 111107126
1-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 61087910
1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol
CID 83810140
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 111114276
(2S)-1-[1-cyclopropylethyl(methyl)amino]propan-2-ol
CID 103934958
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide
CID 110897731
(1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol
CID 171160265
(2,4-difluorophenyl)-(3-methylcyclopentyl)methanol
CID 65401333
2-[cyclohexyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol
CID 82217055

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanol?
The IUPAC name of 2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanol (CID 110897757) is 2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanol?
The canonical SMILES for 2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanol is CC(C1CC1)N(C)CC(O)c1ccc(F)cc1F.
What is the InChIKey of 2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanol?
The InChIKey is YRNLYTCBMWJESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-9(10-3-4-10)17(2)8-14(18)12-6-5-11(15)7-13(12)16/h5-7,9-10,14,18H,3-4,8H2,1-2H3.
What are the key properties of 2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanol?
2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanol has a molecular weight of 255.31 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 110897757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).