2-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-1-ol

C11H15BrFNO — CID 115347554

IUPAC2-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-1-ol
SMILESCC(C)C(N)C(O)c1ccc(Br)cc1F
InChIInChI=1S/C11H15BrFNO/c1-6(2)10(14)11(15)8-4-3-7(12)5-9(8)13/h3-6,10-11,15H,14H2,1-2H3
InChIKeyKNGVPRBDSBQULJ-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.60
Rot. Bonds3

About 2-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-1-ol

2-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-1-ol (PubChem CID 115347554) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 2-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-1-ol
PubChem CID115347554
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name2-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-1-ol
SMILESCC(C)C(N)C(O)c1ccc(Br)cc1F
InChIInChI=1S/C11H15BrFNO/c1-6(2)10(14)11(15)8-4-3-7(12)5-9(8)13/h3-6,10-11,15H,14H2,1-2H3
InChIKeyKNGVPRBDSBQULJ-UHFFFAOYSA-N
XLogP2.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-1-ol (CID 115347554) is 2-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-1-ol is CC(C)C(N)C(O)c1ccc(Br)cc1F.
What is the InChIKey of 2-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-1-ol?
The InChIKey is KNGVPRBDSBQULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-6(2)10(14)11(15)8-4-3-7(12)5-9(8)13/h3-6,10-11,15H,14H2,1-2H3.
What are the key properties of 2-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-1-ol?
2-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-1-ol has a molecular weight of 276.15 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 115347554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).