1-[1-(5-bromo-2-fluorophenyl)ethylamino]propan-2-ol

C11H15BrFNO — CID 81307148

IUPAC1-[1-(5-bromo-2-fluorophenyl)ethylamino]propan-2-ol
SMILESCC(O)CNC(C)c1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFNO/c1-7(15)6-14-8(2)10-5-9(12)3-4-11(10)13/h3-5,7-8,14-15H,6H2,1-2H3
InChIKeyBUSNMTYPQMVOFF-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.62
Rot. Bonds4

About 1-[1-(5-bromo-2-fluorophenyl)ethylamino]propan-2-ol

1-[1-(5-bromo-2-fluorophenyl)ethylamino]propan-2-ol (PubChem CID 81307148) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 1-[1-(5-bromo-2-fluorophenyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[1-(5-bromo-2-fluorophenyl)ethylamino]propan-2-ol
PubChem CID81307148
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name1-[1-(5-bromo-2-fluorophenyl)ethylamino]propan-2-ol
SMILESCC(O)CNC(C)c1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFNO/c1-7(15)6-14-8(2)10-5-9(12)3-4-11(10)13/h3-5,7-8,14-15H,6H2,1-2H3
InChIKeyBUSNMTYPQMVOFF-UHFFFAOYSA-N
XLogP2.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-phenylethanol
CID 81301682
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethoxyethanamine
CID 82964758
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 82963868
2-[1-(5-bromo-2-fluorophenyl)ethylamino]acetic acid
CID 82964590
1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine
CID 82964766
2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 81302054
1-[[1-(5-bromo-2-fluorophenyl)ethylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 82963406
3-[1-(4-bromo-2-fluorophenyl)ethylamino]propane-1,2-diol
CID 82963254
3-[1-(5-bromo-2-fluorophenyl)ethylamino]propanenitrile
CID 82963033
1-(5-bromo-2-fluorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 82963734
(2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082006
(2R)-1-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082005

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromo-2-fluorophenyl)ethylamino]propan-2-ol?
The IUPAC name of 1-[1-(5-bromo-2-fluorophenyl)ethylamino]propan-2-ol (CID 81307148) is 1-[1-(5-bromo-2-fluorophenyl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-[1-(5-bromo-2-fluorophenyl)ethylamino]propan-2-ol?
The canonical SMILES for 1-[1-(5-bromo-2-fluorophenyl)ethylamino]propan-2-ol is CC(O)CNC(C)c1cc(Br)ccc1F.
What is the InChIKey of 1-[1-(5-bromo-2-fluorophenyl)ethylamino]propan-2-ol?
The InChIKey is BUSNMTYPQMVOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-7(15)6-14-8(2)10-5-9(12)3-4-11(10)13/h3-5,7-8,14-15H,6H2,1-2H3.
What are the key properties of 1-[1-(5-bromo-2-fluorophenyl)ethylamino]propan-2-ol?
1-[1-(5-bromo-2-fluorophenyl)ethylamino]propan-2-ol has a molecular weight of 276.15 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromo-2-fluorophenyl)ethylamino]propan-2-ol is sourced from PubChem (CID 81307148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).