1-(4-bromophenyl)-2-[2,2-difluoroethyl(2-methoxyethyl)amino]ethanol

C13H18BrF2NO2 — CID 110936012

IUPAC1-(4-bromophenyl)-2-[2,2-difluoroethyl(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CC(F)F)CC(O)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrF2NO2/c1-19-7-6-17(9-13(15)16)8-12(18)10-2-4-11(14)5-3-10/h2-5,12-13,18H,6-9H2,1H3
InChIKeyBISHZQOSYUOKDR-UHFFFAOYSA-N
MW338.19 g/mol
LogP2.70
Rot. Bonds8

About 1-(4-bromophenyl)-2-[2,2-difluoroethyl(2-methoxyethyl)amino]ethanol

1-(4-bromophenyl)-2-[2,2-difluoroethyl(2-methoxyethyl)amino]ethanol (PubChem CID 110936012) has the molecular formula C13H18BrF2NO2 and a molecular weight of 338.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[2,2-difluoroethyl(2-methoxyethyl)amino]ethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[2,2-difluoroethyl(2-methoxyethyl)amino]ethanol
PubChem CID110936012
Molecular FormulaC13H18BrF2NO2
Molecular Weight338.19 g/mol
Exact Mass337.05
IUPAC Name1-(4-bromophenyl)-2-[2,2-difluoroethyl(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CC(F)F)CC(O)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrF2NO2/c1-19-7-6-17(9-13(15)16)8-12(18)10-2-4-11(14)5-3-10/h2-5,12-13,18H,6-9H2,1H3
InChIKeyBISHZQOSYUOKDR-UHFFFAOYSA-N
XLogP2.70
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol
CID 111103190
1-(4-bromophenyl)-2-[2-methoxyethyl(methyl)amino]ethanol
CID 110935898
2-[bis(2-methoxyethyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60980971
1-(4-aminophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol
CID 62265758
(1R)-1-(4-bromophenyl)-2-methoxyethanol
CID 14940709
1-(4-bromophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol
CID 62617478
3-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)propan-1-ol
CID 63487544
1-(3-amino-4-methylphenyl)-2-[bis(2-methoxyethyl)amino]ethanol
CID 82071614
1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol
CID 79038886
methyl 3-[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]propanoate
CID 78959230
4-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-hydroxyethyl]benzonitrile
CID 107479680
1-(4-bromophenoxy)-3-[2-methoxyethyl(methyl)amino]propan-2-ol
CID 110899766

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[2,2-difluoroethyl(2-methoxyethyl)amino]ethanol?
The IUPAC name of 1-(4-bromophenyl)-2-[2,2-difluoroethyl(2-methoxyethyl)amino]ethanol (CID 110936012) is 1-(4-bromophenyl)-2-[2,2-difluoroethyl(2-methoxyethyl)amino]ethanol.
What is the SMILES notation for 1-(4-bromophenyl)-2-[2,2-difluoroethyl(2-methoxyethyl)amino]ethanol?
The canonical SMILES for 1-(4-bromophenyl)-2-[2,2-difluoroethyl(2-methoxyethyl)amino]ethanol is COCCN(CC(F)F)CC(O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-[2,2-difluoroethyl(2-methoxyethyl)amino]ethanol?
The InChIKey is BISHZQOSYUOKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrF2NO2/c1-19-7-6-17(9-13(15)16)8-12(18)10-2-4-11(14)5-3-10/h2-5,12-13,18H,6-9H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-[2,2-difluoroethyl(2-methoxyethyl)amino]ethanol?
1-(4-bromophenyl)-2-[2,2-difluoroethyl(2-methoxyethyl)amino]ethanol has a molecular weight of 338.19 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[2,2-difluoroethyl(2-methoxyethyl)amino]ethanol is sourced from PubChem (CID 110936012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).