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

C11H15BrFNO — CID 83933928

IUPAC1-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol
SMILESCC(CC(O)CN)c1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFNO/c1-7(4-9(15)6-14)10-5-8(12)2-3-11(10)13/h2-3,5,7,9,15H,4,6,14H2,1H3
InChIKeyGIFDMDJCGXQTCC-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.40
Rot. Bonds4

About 1-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol

1-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol (PubChem CID 83933928) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 1-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol.

Molecular Properties

Compound Name1-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol
PubChem CID83933928
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name1-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol
SMILESCC(CC(O)CN)c1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFNO/c1-7(4-9(15)6-14)10-5-8(12)2-3-11(10)13/h2-3,5,7,9,15H,4,6,14H2,1H3
InChIKeyGIFDMDJCGXQTCC-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

1-amino-4-(2,5-difluorophenyl)pentan-2-ol
CID 83936130
2-(5-bromo-2-fluorophenyl)propan-1-ol
CID 82972861
2,4-diamino-1-(5-bromo-2-fluorophenyl)butan-1-ol
CID 83933858
(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171200599
3-(5-bromo-2-fluorophenyl)butane-1-thiol
CID 83933838
2-(5-bromo-2-fluorophenyl)-N-methylpropan-1-amine
CID 82974107
amino-(5-bromo-2-fluorophenyl)methanol
CID 116939684
1-(5-bromo-2-fluorophenyl)-2-methylbutan-1-amine
CID 79742752
CID 87630182
CID 87630182
5-amino-4-(4-bromo-2-fluorophenyl)pentan-2-ol
CID 81422605
5-(5-bromo-2-fluorophenyl)heptane-2,3-diol
CID 83933935
1-(5-bromo-2-fluorophenyl)-2-chloroethanol
CID 83001576

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol?
The IUPAC name of 1-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol (CID 83933928) is 1-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol.
What is the SMILES notation for 1-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol?
The canonical SMILES for 1-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol is CC(CC(O)CN)c1cc(Br)ccc1F.
What is the InChIKey of 1-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol?
The InChIKey is GIFDMDJCGXQTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-7(4-9(15)6-14)10-5-8(12)2-3-11(10)13/h2-3,5,7,9,15H,4,6,14H2,1H3.
What are the key properties of 1-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol?
1-amino-4-(5-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 1-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol is sourced from PubChem (CID 83933928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).