1-(4-bromo-2-fluoroanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol

C15H23BrFNO2 — CID 60897310

IUPAC1-(4-bromo-2-fluoroanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
SMILESCC(C)CC(C)OCC(O)CNc1ccc(Br)cc1F
InChIInChI=1S/C15H23BrFNO2/c1-10(2)6-11(3)20-9-13(19)8-18-15-5-4-12(16)7-14(15)17/h4-5,7,10-11,13,18-19H,6,8-9H2,1-3H3
InChIKeyUNJHWURQTZXWGD-UHFFFAOYSA-N
MW348.26 g/mol
LogP3.81
Rot. Bonds8

About 1-(4-bromo-2-fluoroanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol

1-(4-bromo-2-fluoroanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol (PubChem CID 60897310) has the molecular formula C15H23BrFNO2 and a molecular weight of 348.26 g/mol. Its IUPAC name is 1-(4-bromo-2-fluoroanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-2-fluoroanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
PubChem CID60897310
Molecular FormulaC15H23BrFNO2
Molecular Weight348.26 g/mol
Exact Mass347.09
IUPAC Name1-(4-bromo-2-fluoroanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
SMILESCC(C)CC(C)OCC(O)CNc1ccc(Br)cc1F
InChIInChI=1S/C15H23BrFNO2/c1-10(2)6-11(3)20-9-13(19)8-18-15-5-4-12(16)7-14(15)17/h4-5,7,10-11,13,18-19H,6,8-9H2,1-3H3
InChIKeyUNJHWURQTZXWGD-UHFFFAOYSA-N
XLogP3.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-fluoroanilino)-3-propan-2-yloxypropan-2-ol
CID 60897126
1-(5-bromo-4-fluoro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 107592126
1-(4-fluoro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60899933
3-(4-bromo-2-fluoroanilino)propane-1,2-diol
CID 76891707
1-(5-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60904275
1-(3-bromo-5-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 107583341
1-(2,4-dibromoanilino)-3-(2-methylpropoxy)propan-2-ol
CID 54953370
1-(4-bromo-3-methoxyanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 82860837
1-(2-ethoxyanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60898993
1-(3-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60898813
4-bromo-2-fluoro-N-(2-methylpentyl)aniline
CID 43102033
1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989282

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluoroanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(4-bromo-2-fluoroanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol (CID 60897310) is 1-(4-bromo-2-fluoroanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(4-bromo-2-fluoroanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(4-bromo-2-fluoroanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol is CC(C)CC(C)OCC(O)CNc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluoroanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
The InChIKey is UNJHWURQTZXWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFNO2/c1-10(2)6-11(3)20-9-13(19)8-18-15-5-4-12(16)7-14(15)17/h4-5,7,10-11,13,18-19H,6,8-9H2,1-3H3.
What are the key properties of 1-(4-bromo-2-fluoroanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
1-(4-bromo-2-fluoroanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol has a molecular weight of 348.26 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluoroanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol is sourced from PubChem (CID 60897310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).