5-amino-4-(4-bromo-2-fluorophenyl)pentan-2-ol

C11H15BrFNO — CID 81422605

IUPAC5-amino-4-(4-bromo-2-fluorophenyl)pentan-2-ol
SMILESCC(O)CC(CN)c1ccc(Br)cc1F
InChIInChI=1S/C11H15BrFNO/c1-7(15)4-8(6-14)10-3-2-9(12)5-11(10)13/h2-3,5,7-8,15H,4,6,14H2,1H3
InChIKeyBCIGLZARAPXJHS-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.40
Rot. Bonds4

About 5-amino-4-(4-bromo-2-fluorophenyl)pentan-2-ol

5-amino-4-(4-bromo-2-fluorophenyl)pentan-2-ol (PubChem CID 81422605) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 5-amino-4-(4-bromo-2-fluorophenyl)pentan-2-ol.

Molecular Properties

Compound Name5-amino-4-(4-bromo-2-fluorophenyl)pentan-2-ol
PubChem CID81422605
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name5-amino-4-(4-bromo-2-fluorophenyl)pentan-2-ol
SMILESCC(O)CC(CN)c1ccc(Br)cc1F
InChIInChI=1S/C11H15BrFNO/c1-7(15)4-8(6-14)10-3-2-9(12)5-11(10)13/h2-3,5,7-8,15H,4,6,14H2,1H3
InChIKeyBCIGLZARAPXJHS-UHFFFAOYSA-N
XLogP2.40
TPSA46.25 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 ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-4-(2-fluorophenyl)pentan-2-ol
CID 81422471
2-(aminomethyl)-1-(4-bromo-2-fluorophenyl)-3-methylbutan-1-ol
CID 65185739
4-amino-3-(4-bromo-2-fluorophenyl)butanoic acid
CID 84714296
(1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol
CID 129371245
3-(4-bromo-2-fluorophenyl)butan-1-amine
CID 117367048
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
2-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-1-ol
CID 115347554
1-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol
CID 83933928
1-(4-bromo-2-fluorophenyl)ethane-1,2-diol
CID 82713520
1-(4-bromo-2-fluorophenyl)-3-ethylpentan-1-ol
CID 82928590
4-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-ol
CID 82964342
2-amino-2-(4-bromo-2-fluorophenyl)ethanol
CID 61056024

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-bromo-2-fluorophenyl)pentan-2-ol?
The IUPAC name of 5-amino-4-(4-bromo-2-fluorophenyl)pentan-2-ol (CID 81422605) is 5-amino-4-(4-bromo-2-fluorophenyl)pentan-2-ol.
What is the SMILES notation for 5-amino-4-(4-bromo-2-fluorophenyl)pentan-2-ol?
The canonical SMILES for 5-amino-4-(4-bromo-2-fluorophenyl)pentan-2-ol is CC(O)CC(CN)c1ccc(Br)cc1F.
What is the InChIKey of 5-amino-4-(4-bromo-2-fluorophenyl)pentan-2-ol?
The InChIKey is BCIGLZARAPXJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-7(15)4-8(6-14)10-3-2-9(12)5-11(10)13/h2-3,5,7-8,15H,4,6,14H2,1H3.
What are the key properties of 5-amino-4-(4-bromo-2-fluorophenyl)pentan-2-ol?
5-amino-4-(4-bromo-2-fluorophenyl)pentan-2-ol has a molecular weight of 276.15 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-bromo-2-fluorophenyl)pentan-2-ol is sourced from PubChem (CID 81422605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).