1-(2-amino-5-bromo-4-fluoroanilino)-3-methoxypropan-2-ol

C10H14BrFN2O2 — CID 116735989

IUPAC1-(2-amino-5-bromo-4-fluoroanilino)-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1cc(Br)c(F)cc1N
InChIInChI=1S/C10H14BrFN2O2/c1-16-5-6(15)4-14-10-2-7(11)8(12)3-9(10)13/h2-3,6,14-15H,4-5,13H2,1H3
InChIKeyVESRAUKQHALPSI-UHFFFAOYSA-N
MW293.14 g/mol
LogP1.59
Rot. Bonds5

About 1-(2-amino-5-bromo-4-fluoroanilino)-3-methoxypropan-2-ol

1-(2-amino-5-bromo-4-fluoroanilino)-3-methoxypropan-2-ol (PubChem CID 116735989) has the molecular formula C10H14BrFN2O2 and a molecular weight of 293.14 g/mol. Its IUPAC name is 1-(2-amino-5-bromo-4-fluoroanilino)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-amino-5-bromo-4-fluoroanilino)-3-methoxypropan-2-ol
PubChem CID116735989
Molecular FormulaC10H14BrFN2O2
Molecular Weight293.14 g/mol
Exact Mass292.02
IUPAC Name1-(2-amino-5-bromo-4-fluoroanilino)-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1cc(Br)c(F)cc1N
InChIInChI=1S/C10H14BrFN2O2/c1-16-5-6(15)4-14-10-2-7(11)8(12)3-9(10)13/h2-3,6,14-15H,4-5,13H2,1H3
InChIKeyVESRAUKQHALPSI-UHFFFAOYSA-N
XLogP1.59
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.14
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-5-fluoroanilino)-3-methoxypropan-2-ol
CID 107636062
5-(2-amino-5-bromo-4-fluoroanilino)pentan-2-ol
CID 106119789
1-(2-amino-4-iodoanilino)-3-methoxypropan-2-ol
CID 66080338
1-(5-bromo-4-fluoro-2-methylanilino)-3-ethoxypropan-2-ol
CID 107591894
1-(5-bromo-4-fluoro-2-methylanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 107591853
1-(2-amino-4-bromo-5-fluoro-N-methylanilino)-3-methoxypropan-2-ol
CID 66109747
1-(4-amino-2-bromo-5-fluoroanilino)-3-butoxypropan-2-ol;ethane
CID 156821729
1-(2-bromo-6-fluoroanilino)-3-methoxypropan-2-ol
CID 107599499
3-(2-amino-4-bromo-5-fluoroanilino)-2-hydroxypropanamide
CID 106166702
4-fluoro-1-N-(3-methoxy-2-methylpropyl)-5-methylbenzene-1,2-diamine
CID 103590251
(2S)-3-(5-bromo-2,4-difluoroanilino)propane-1,2-diol
CID 102853500
1-(4-amino-3-methylanilino)-3-methoxypropan-2-ol
CID 23104377

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromo-4-fluoroanilino)-3-methoxypropan-2-ol?
The IUPAC name of 1-(2-amino-5-bromo-4-fluoroanilino)-3-methoxypropan-2-ol (CID 116735989) is 1-(2-amino-5-bromo-4-fluoroanilino)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(2-amino-5-bromo-4-fluoroanilino)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(2-amino-5-bromo-4-fluoroanilino)-3-methoxypropan-2-ol is COCC(O)CNc1cc(Br)c(F)cc1N.
What is the InChIKey of 1-(2-amino-5-bromo-4-fluoroanilino)-3-methoxypropan-2-ol?
The InChIKey is VESRAUKQHALPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2O2/c1-16-5-6(15)4-14-10-2-7(11)8(12)3-9(10)13/h2-3,6,14-15H,4-5,13H2,1H3.
What are the key properties of 1-(2-amino-5-bromo-4-fluoroanilino)-3-methoxypropan-2-ol?
1-(2-amino-5-bromo-4-fluoroanilino)-3-methoxypropan-2-ol has a molecular weight of 293.14 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromo-4-fluoroanilino)-3-methoxypropan-2-ol is sourced from PubChem (CID 116735989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).