2-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol

C9H11BrFNO — CID 43209075

IUPAC2-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol
SMILESCC(N)C(O)c1cc(Br)ccc1F
InChIInChI=1S/C9H11BrFNO/c1-5(12)9(13)7-4-6(10)2-3-8(7)11/h2-5,9,13H,12H2,1H3
InChIKeySCNWDVZQHMFFEI-UHFFFAOYSA-N
MW248.09 g/mol
LogP1.97
Rot. Bonds2

About 2-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol

2-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol (PubChem CID 43209075) has the molecular formula C9H11BrFNO and a molecular weight of 248.09 g/mol. Its IUPAC name is 2-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol
PubChem CID43209075
Molecular FormulaC9H11BrFNO
Molecular Weight248.09 g/mol
Exact Mass247.00
IUPAC Name2-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol
SMILESCC(N)C(O)c1cc(Br)ccc1F
InChIInChI=1S/C9H11BrFNO/c1-5(12)9(13)7-4-6(10)2-3-8(7)11/h2-5,9,13H,12H2,1H3
InChIKeySCNWDVZQHMFFEI-UHFFFAOYSA-N
XLogP1.97
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.09
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol?
The IUPAC name of 2-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol (CID 43209075) is 2-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol is CC(N)C(O)c1cc(Br)ccc1F.
What is the InChIKey of 2-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol?
The InChIKey is SCNWDVZQHMFFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO/c1-5(12)9(13)7-4-6(10)2-3-8(7)11/h2-5,9,13H,12H2,1H3.
What are the key properties of 2-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol?
2-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol has a molecular weight of 248.09 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 43209075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).