1-(5-bromo-4-fluoro-2-methylanilino)-3-ethoxypropan-2-ol

C12H17BrFNO2 — CID 107591894

IUPAC1-(5-bromo-4-fluoro-2-methylanilino)-3-ethoxypropan-2-ol
SMILESCCOCC(O)CNc1cc(Br)c(F)cc1C
InChIInChI=1S/C12H17BrFNO2/c1-3-17-7-9(16)6-15-12-5-10(13)11(14)4-8(12)2/h4-5,9,15-16H,3,6-7H2,1-2H3
InChIKeyKQGRISGINPWGHK-UHFFFAOYSA-N
MW306.18 g/mol
LogP2.71
Rot. Bonds6

About 1-(5-bromo-4-fluoro-2-methylanilino)-3-ethoxypropan-2-ol

1-(5-bromo-4-fluoro-2-methylanilino)-3-ethoxypropan-2-ol (PubChem CID 107591894) has the molecular formula C12H17BrFNO2 and a molecular weight of 306.18 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methylanilino)-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methylanilino)-3-ethoxypropan-2-ol
PubChem CID107591894
Molecular FormulaC12H17BrFNO2
Molecular Weight306.18 g/mol
Exact Mass305.04
IUPAC Name1-(5-bromo-4-fluoro-2-methylanilino)-3-ethoxypropan-2-ol
SMILESCCOCC(O)CNc1cc(Br)c(F)cc1C
InChIInChI=1S/C12H17BrFNO2/c1-3-17-7-9(16)6-15-12-5-10(13)11(14)4-8(12)2/h4-5,9,15-16H,3,6-7H2,1-2H3
InChIKeyKQGRISGINPWGHK-UHFFFAOYSA-N
XLogP2.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-4-fluoro-2-methylanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 107591853
1-(5-bromo-4-fluoro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 107592126
1-(2-bromo-5-chloro-4-methylanilino)-3-ethoxypropan-2-ol
CID 113445450
ethyl 3-(5-bromo-4-fluoro-2-methylanilino)-2-methylpropanoate
CID 107591791
5-bromo-N-(2-ethylbutyl)-4-fluoro-2-methylaniline
CID 107591186
5-bromo-4-fluoro-N-(2-methoxypropyl)-2-methylaniline
CID 107592069
1-(2-amino-5-bromo-4-fluoroanilino)-3-methoxypropan-2-ol
CID 116735989
1-(5-bromo-2,4-difluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 102853501
2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,4-difluorophenyl)ethanol
CID 107591968
2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)ethanol
CID 107591865
4-[(3-ethoxy-2-hydroxypropyl)amino]-3-fluorobenzonitrile
CID 79003913
1-(2,5-dibromoanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 61467302

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methylanilino)-3-ethoxypropan-2-ol?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methylanilino)-3-ethoxypropan-2-ol (CID 107591894) is 1-(5-bromo-4-fluoro-2-methylanilino)-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methylanilino)-3-ethoxypropan-2-ol?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methylanilino)-3-ethoxypropan-2-ol is CCOCC(O)CNc1cc(Br)c(F)cc1C.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methylanilino)-3-ethoxypropan-2-ol?
The InChIKey is KQGRISGINPWGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO2/c1-3-17-7-9(16)6-15-12-5-10(13)11(14)4-8(12)2/h4-5,9,15-16H,3,6-7H2,1-2H3.
What are the key properties of 1-(5-bromo-4-fluoro-2-methylanilino)-3-ethoxypropan-2-ol?
1-(5-bromo-4-fluoro-2-methylanilino)-3-ethoxypropan-2-ol has a molecular weight of 306.18 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-methylanilino)-3-ethoxypropan-2-ol is sourced from PubChem (CID 107591894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).