1,1-difluoro-3-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol

C12H17F2NO3 — CID 114093465

IUPAC1,1-difluoro-3-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol
SMILESCOc1ccc(C(O)CNCC(O)C(F)F)cc1
InChIInChI=1S/C12H17F2NO3/c1-18-9-4-2-8(3-5-9)10(16)6-15-7-11(17)12(13)14/h2-5,10-12,15-17H,6-7H2,1H3
InChIKeyAEUMXZOUZXTCDT-UHFFFAOYSA-N
MW261.27 g/mol
LogP0.94
Rot. Bonds7

About 1,1-difluoro-3-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol

1,1-difluoro-3-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol (PubChem CID 114093465) has the molecular formula C12H17F2NO3 and a molecular weight of 261.27 g/mol. Its IUPAC name is 1,1-difluoro-3-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol
PubChem CID114093465
Molecular FormulaC12H17F2NO3
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name1,1-difluoro-3-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol
SMILESCOc1ccc(C(O)CNCC(O)C(F)F)cc1
InChIInChI=1S/C12H17F2NO3/c1-18-9-4-2-8(3-5-9)10(16)6-15-7-11(17)12(13)14/h2-5,10-12,15-17H,6-7H2,1H3
InChIKeyAEUMXZOUZXTCDT-UHFFFAOYSA-N
XLogP0.94
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1,1-difluoro-3-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol with MolForge

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Related Compounds

1-(4-methoxyphenyl)-2-(prop-2-ynylamino)ethanol
CID 60903384
2-hydrazinyl-1-(4-methoxyphenyl)ethanol
CID 21361112
1-(6-methoxynaphthalen-2-yl)-2-(2-methylpropylamino)ethanol
CID 62772783
2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)ethanol
CID 82312256
1-(4-methoxyphenyl)-2-(3-methylsulfanylpropylamino)ethanol
CID 60760535
N-ethyl-2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]acetamide
CID 54938253
2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl carbamate
CID 83209205
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
2-(butan-2-ylamino)-1-(4-methoxyphenyl)ethanol
CID 60904151
[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 137321016
1-(4-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol
CID 60909806
2-(2,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol
CID 60900221

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol (CID 114093465) is 1,1-difluoro-3-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol is COc1ccc(C(O)CNCC(O)C(F)F)cc1.
What is the InChIKey of 1,1-difluoro-3-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol?
The InChIKey is AEUMXZOUZXTCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO3/c1-18-9-4-2-8(3-5-9)10(16)6-15-7-11(17)12(13)14/h2-5,10-12,15-17H,6-7H2,1H3.
What are the key properties of 1,1-difluoro-3-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol?
1,1-difluoro-3-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol has a molecular weight of 261.27 g/mol, XLogP of 0.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol is sourced from PubChem (CID 114093465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).