3-(2-amino-4-bromo-5-fluoroanilino)-2-methylpropane-1,2-diol

C10H14BrFN2O2 — CID 66169266

IUPAC3-(2-amino-4-bromo-5-fluoroanilino)-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNc1cc(F)c(Br)cc1N
InChIInChI=1S/C10H14BrFN2O2/c1-10(16,5-15)4-14-9-3-7(12)6(11)2-8(9)13/h2-3,14-16H,4-5,13H2,1H3
InChIKeyJRSFFUBUHYNCJR-UHFFFAOYSA-N
MW293.14 g/mol
LogP1.33
Rot. Bonds4

About 3-(2-amino-4-bromo-5-fluoroanilino)-2-methylpropane-1,2-diol

3-(2-amino-4-bromo-5-fluoroanilino)-2-methylpropane-1,2-diol (PubChem CID 66169266) has the molecular formula C10H14BrFN2O2 and a molecular weight of 293.14 g/mol. Its IUPAC name is 3-(2-amino-4-bromo-5-fluoroanilino)-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-(2-amino-4-bromo-5-fluoroanilino)-2-methylpropane-1,2-diol
PubChem CID66169266
Molecular FormulaC10H14BrFN2O2
Molecular Weight293.14 g/mol
Exact Mass292.02
IUPAC Name3-(2-amino-4-bromo-5-fluoroanilino)-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNc1cc(F)c(Br)cc1N
InChIInChI=1S/C10H14BrFN2O2/c1-10(16,5-15)4-14-9-3-7(12)6(11)2-8(9)13/h2-3,14-16H,4-5,13H2,1H3
InChIKeyJRSFFUBUHYNCJR-UHFFFAOYSA-N
XLogP1.33
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.14
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-bromo-5-fluoroanilino)acetamide
CID 66111662
3-[2-amino-4-(trifluoromethyl)anilino]-2-methylpropane-1,2-diol
CID 66169467
3-(2-amino-4-bromo-5-fluoroanilino)-2-hydroxypropanamide
CID 106166702
5-(2-amino-4-bromo-5-fluoroanilino)pentan-2-ol
CID 106119811
2-(2-amino-4-bromo-5-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 113405855
3-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylpropanamide
CID 66110342
(2S)-2-(2-amino-4-bromo-5-fluoroanilino)-3-methylbutan-1-ol
CID 79247969
4-bromo-1-N-[2-(diethylamino)ethyl]-5-fluorobenzene-1,2-diamine
CID 66111855
2-(2-amino-4-bromo-5-fluoroanilino)-3-methylbutan-1-ol
CID 79248505
4-amino-3-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 66169478
2-[(5-bromo-4-fluoro-2-methylanilino)methyl]-2-methylpropane-1,3-diol
CID 107592068
4-bromo-1-N-(3-ethoxypropyl)-5-fluorobenzene-1,2-diamine
CID 66110295

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-bromo-5-fluoroanilino)-2-methylpropane-1,2-diol?
The IUPAC name of 3-(2-amino-4-bromo-5-fluoroanilino)-2-methylpropane-1,2-diol (CID 66169266) is 3-(2-amino-4-bromo-5-fluoroanilino)-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-(2-amino-4-bromo-5-fluoroanilino)-2-methylpropane-1,2-diol?
The canonical SMILES for 3-(2-amino-4-bromo-5-fluoroanilino)-2-methylpropane-1,2-diol is CC(O)(CO)CNc1cc(F)c(Br)cc1N.
What is the InChIKey of 3-(2-amino-4-bromo-5-fluoroanilino)-2-methylpropane-1,2-diol?
The InChIKey is JRSFFUBUHYNCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2O2/c1-10(16,5-15)4-14-9-3-7(12)6(11)2-8(9)13/h2-3,14-16H,4-5,13H2,1H3.
What are the key properties of 3-(2-amino-4-bromo-5-fluoroanilino)-2-methylpropane-1,2-diol?
3-(2-amino-4-bromo-5-fluoroanilino)-2-methylpropane-1,2-diol has a molecular weight of 293.14 g/mol, XLogP of 1.33, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-bromo-5-fluoroanilino)-2-methylpropane-1,2-diol is sourced from PubChem (CID 66169266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).