3-[1-(4-bromo-2-fluorophenyl)ethylamino]propane-1,2-diol

C11H15BrFNO2 — CID 82963254

IUPAC3-[1-(4-bromo-2-fluorophenyl)ethylamino]propane-1,2-diol
SMILESCC(NCC(O)CO)c1ccc(Br)cc1F
InChIInChI=1S/C11H15BrFNO2/c1-7(14-5-9(16)6-15)10-3-2-8(12)4-11(10)13/h2-4,7,9,14-16H,5-6H2,1H3
InChIKeyOCMZMKNUHGQCPI-UHFFFAOYSA-N
MW292.15 g/mol
LogP1.59
Rot. Bonds5

About 3-[1-(4-bromo-2-fluorophenyl)ethylamino]propane-1,2-diol

3-[1-(4-bromo-2-fluorophenyl)ethylamino]propane-1,2-diol (PubChem CID 82963254) has the molecular formula C11H15BrFNO2 and a molecular weight of 292.15 g/mol. Its IUPAC name is 3-[1-(4-bromo-2-fluorophenyl)ethylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[1-(4-bromo-2-fluorophenyl)ethylamino]propane-1,2-diol
PubChem CID82963254
Molecular FormulaC11H15BrFNO2
Molecular Weight292.15 g/mol
Exact Mass291.03
IUPAC Name3-[1-(4-bromo-2-fluorophenyl)ethylamino]propane-1,2-diol
SMILESCC(NCC(O)CO)c1ccc(Br)cc1F
InChIInChI=1S/C11H15BrFNO2/c1-7(14-5-9(16)6-15)10-3-2-8(12)4-11(10)13/h2-4,7,9,14-16H,5-6H2,1H3
InChIKeyOCMZMKNUHGQCPI-UHFFFAOYSA-N
XLogP1.59
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,2-difluoroethanamine
CID 82964200
3-[1-(2-fluorophenyl)ethylamino]propane-1,2-diol
CID 60632523
4-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-ol
CID 82964342
5-[1-(4-bromo-2-fluorophenyl)ethylamino]-2-methylpentan-1-ol
CID 102613092
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine
CID 82961496
1-[1-(5-bromo-2-fluorophenyl)ethylamino]propan-2-ol
CID 81307148
3-[1-(2-chloro-4-fluorophenyl)ethylamino]propane-1,2-diol
CID 66175056
N'-[1-(4-bromo-2-fluorophenyl)ethyl]propane-1,3-diamine
CID 82963535
3-(4-bromo-2-fluoroanilino)propane-1,2-diol
CID 76891707
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 82963086
1-(4-bromo-2-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 102613018
N-[1-(4-bromo-2-fluorophenyl)ethyl]decan-1-amine
CID 82963081

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-bromo-2-fluorophenyl)ethylamino]propane-1,2-diol?
The IUPAC name of 3-[1-(4-bromo-2-fluorophenyl)ethylamino]propane-1,2-diol (CID 82963254) is 3-[1-(4-bromo-2-fluorophenyl)ethylamino]propane-1,2-diol.
What is the SMILES notation for 3-[1-(4-bromo-2-fluorophenyl)ethylamino]propane-1,2-diol?
The canonical SMILES for 3-[1-(4-bromo-2-fluorophenyl)ethylamino]propane-1,2-diol is CC(NCC(O)CO)c1ccc(Br)cc1F.
What is the InChIKey of 3-[1-(4-bromo-2-fluorophenyl)ethylamino]propane-1,2-diol?
The InChIKey is OCMZMKNUHGQCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO2/c1-7(14-5-9(16)6-15)10-3-2-8(12)4-11(10)13/h2-4,7,9,14-16H,5-6H2,1H3.
What are the key properties of 3-[1-(4-bromo-2-fluorophenyl)ethylamino]propane-1,2-diol?
3-[1-(4-bromo-2-fluorophenyl)ethylamino]propane-1,2-diol has a molecular weight of 292.15 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-bromo-2-fluorophenyl)ethylamino]propane-1,2-diol is sourced from PubChem (CID 82963254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).