1-(4-amino-3-bromo-5-fluorophenyl)-2-(diethylamino)ethanol

C12H18BrFN2O — CID 154339755

IUPAC1-(4-amino-3-bromo-5-fluorophenyl)-2-(diethylamino)ethanol
SMILESCCN(CC)CC(O)c1cc(F)c(N)c(Br)c1
InChIInChI=1S/C12H18BrFN2O/c1-3-16(4-2)7-11(17)8-5-9(13)12(15)10(14)6-8/h5-6,11,17H,3-4,7,15H2,1-2H3
InChIKeyUYHAXAORRROFIF-UHFFFAOYSA-N
MW305.19 g/mol
LogP2.55
Rot. Bonds5

About 1-(4-amino-3-bromo-5-fluorophenyl)-2-(diethylamino)ethanol

1-(4-amino-3-bromo-5-fluorophenyl)-2-(diethylamino)ethanol (PubChem CID 154339755) has the molecular formula C12H18BrFN2O and a molecular weight of 305.19 g/mol. Its IUPAC name is 1-(4-amino-3-bromo-5-fluorophenyl)-2-(diethylamino)ethanol.

Molecular Properties

Compound Name1-(4-amino-3-bromo-5-fluorophenyl)-2-(diethylamino)ethanol
PubChem CID154339755
Molecular FormulaC12H18BrFN2O
Molecular Weight305.19 g/mol
Exact Mass304.06
IUPAC Name1-(4-amino-3-bromo-5-fluorophenyl)-2-(diethylamino)ethanol
SMILESCCN(CC)CC(O)c1cc(F)c(N)c(Br)c1
InChIInChI=1S/C12H18BrFN2O/c1-3-16(4-2)7-11(17)8-5-9(13)12(15)10(14)6-8/h5-6,11,17H,3-4,7,15H2,1-2H3
InChIKeyUYHAXAORRROFIF-UHFFFAOYSA-N
XLogP2.55
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-bromo-5-fluorophenyl)-2-(diethylamino)ethanol?
The IUPAC name of 1-(4-amino-3-bromo-5-fluorophenyl)-2-(diethylamino)ethanol (CID 154339755) is 1-(4-amino-3-bromo-5-fluorophenyl)-2-(diethylamino)ethanol.
What is the SMILES notation for 1-(4-amino-3-bromo-5-fluorophenyl)-2-(diethylamino)ethanol?
The canonical SMILES for 1-(4-amino-3-bromo-5-fluorophenyl)-2-(diethylamino)ethanol is CCN(CC)CC(O)c1cc(F)c(N)c(Br)c1.
What is the InChIKey of 1-(4-amino-3-bromo-5-fluorophenyl)-2-(diethylamino)ethanol?
The InChIKey is UYHAXAORRROFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrFN2O/c1-3-16(4-2)7-11(17)8-5-9(13)12(15)10(14)6-8/h5-6,11,17H,3-4,7,15H2,1-2H3.
What are the key properties of 1-(4-amino-3-bromo-5-fluorophenyl)-2-(diethylamino)ethanol?
1-(4-amino-3-bromo-5-fluorophenyl)-2-(diethylamino)ethanol has a molecular weight of 305.19 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-bromo-5-fluorophenyl)-2-(diethylamino)ethanol is sourced from PubChem (CID 154339755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).