2-(2-amino-4-chloro-5-fluoroanilino)-2-methylpropan-1-ol

C10H14ClFN2O — CID 66077596

IUPAC2-(2-amino-4-chloro-5-fluoroanilino)-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1cc(F)c(Cl)cc1N
InChIInChI=1S/C10H14ClFN2O/c1-10(2,5-15)14-9-4-7(12)6(11)3-8(9)13/h3-4,14-15H,5,13H2,1-2H3
InChIKeyANVHTUUXLVPLJY-UHFFFAOYSA-N
MW232.69 g/mol
LogP2.24
Rot. Bonds3

About 2-(2-amino-4-chloro-5-fluoroanilino)-2-methylpropan-1-ol

2-(2-amino-4-chloro-5-fluoroanilino)-2-methylpropan-1-ol (PubChem CID 66077596) has the molecular formula C10H14ClFN2O and a molecular weight of 232.69 g/mol. Its IUPAC name is 2-(2-amino-4-chloro-5-fluoroanilino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(2-amino-4-chloro-5-fluoroanilino)-2-methylpropan-1-ol
PubChem CID66077596
Molecular FormulaC10H14ClFN2O
Molecular Weight232.69 g/mol
Exact Mass232.08
IUPAC Name2-(2-amino-4-chloro-5-fluoroanilino)-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1cc(F)c(Cl)cc1N
InChIInChI=1S/C10H14ClFN2O/c1-10(2,5-15)14-9-4-7(12)6(11)3-8(9)13/h3-4,14-15H,5,13H2,1-2H3
InChIKeyANVHTUUXLVPLJY-UHFFFAOYSA-N
XLogP2.24
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-chloro-5-fluoroanilino)-2-methylpropan-1-ol?
The IUPAC name of 2-(2-amino-4-chloro-5-fluoroanilino)-2-methylpropan-1-ol (CID 66077596) is 2-(2-amino-4-chloro-5-fluoroanilino)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(2-amino-4-chloro-5-fluoroanilino)-2-methylpropan-1-ol?
The canonical SMILES for 2-(2-amino-4-chloro-5-fluoroanilino)-2-methylpropan-1-ol is CC(C)(CO)Nc1cc(F)c(Cl)cc1N.
What is the InChIKey of 2-(2-amino-4-chloro-5-fluoroanilino)-2-methylpropan-1-ol?
The InChIKey is ANVHTUUXLVPLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2O/c1-10(2,5-15)14-9-4-7(12)6(11)3-8(9)13/h3-4,14-15H,5,13H2,1-2H3.
What are the key properties of 2-(2-amino-4-chloro-5-fluoroanilino)-2-methylpropan-1-ol?
2-(2-amino-4-chloro-5-fluoroanilino)-2-methylpropan-1-ol has a molecular weight of 232.69 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-chloro-5-fluoroanilino)-2-methylpropan-1-ol is sourced from PubChem (CID 66077596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).