1-(2-amino-5-bromo-3-fluoroanilino)-2-methylpropan-1-ol

C10H14BrFN2O — CID 164945798

IUPAC1-(2-amino-5-bromo-3-fluoroanilino)-2-methylpropan-1-ol
SMILESCC(C)C(O)Nc1cc(Br)cc(F)c1N
InChIInChI=1S/C10H14BrFN2O/c1-5(2)10(15)14-8-4-6(11)3-7(12)9(8)13/h3-5,10,14-15H,13H2,1-2H3
InChIKeyLVHBCTMEBUCUPX-UHFFFAOYSA-N
MW277.14 g/mol
LogP2.56
Rot. Bonds3

About 1-(2-amino-5-bromo-3-fluoroanilino)-2-methylpropan-1-ol

1-(2-amino-5-bromo-3-fluoroanilino)-2-methylpropan-1-ol (PubChem CID 164945798) has the molecular formula C10H14BrFN2O and a molecular weight of 277.14 g/mol. Its IUPAC name is 1-(2-amino-5-bromo-3-fluoroanilino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(2-amino-5-bromo-3-fluoroanilino)-2-methylpropan-1-ol
PubChem CID164945798
Molecular FormulaC10H14BrFN2O
Molecular Weight277.14 g/mol
Exact Mass276.03
IUPAC Name1-(2-amino-5-bromo-3-fluoroanilino)-2-methylpropan-1-ol
SMILESCC(C)C(O)Nc1cc(Br)cc(F)c1N
InChIInChI=1S/C10H14BrFN2O/c1-5(2)10(15)14-8-4-6(11)3-7(12)9(8)13/h3-5,10,14-15H,13H2,1-2H3
InChIKeyLVHBCTMEBUCUPX-UHFFFAOYSA-N
XLogP2.56
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.14
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromo-3-fluoroanilino)-2-methylpropan-1-ol?
The IUPAC name of 1-(2-amino-5-bromo-3-fluoroanilino)-2-methylpropan-1-ol (CID 164945798) is 1-(2-amino-5-bromo-3-fluoroanilino)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(2-amino-5-bromo-3-fluoroanilino)-2-methylpropan-1-ol?
The canonical SMILES for 1-(2-amino-5-bromo-3-fluoroanilino)-2-methylpropan-1-ol is CC(C)C(O)Nc1cc(Br)cc(F)c1N.
What is the InChIKey of 1-(2-amino-5-bromo-3-fluoroanilino)-2-methylpropan-1-ol?
The InChIKey is LVHBCTMEBUCUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2O/c1-5(2)10(15)14-8-4-6(11)3-7(12)9(8)13/h3-5,10,14-15H,13H2,1-2H3.
What are the key properties of 1-(2-amino-5-bromo-3-fluoroanilino)-2-methylpropan-1-ol?
1-(2-amino-5-bromo-3-fluoroanilino)-2-methylpropan-1-ol has a molecular weight of 277.14 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromo-3-fluoroanilino)-2-methylpropan-1-ol is sourced from PubChem (CID 164945798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).