1-(2-bromo-6-fluoroanilino)-3-methoxypropan-2-ol

C10H13BrFNO2 — CID 107599499

IUPAC1-(2-bromo-6-fluoroanilino)-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1c(F)cccc1Br
InChIInChI=1S/C10H13BrFNO2/c1-15-6-7(14)5-13-10-8(11)3-2-4-9(10)12/h2-4,7,13-14H,5-6H2,1H3
InChIKeySSCUMTOQBSGFQR-UHFFFAOYSA-N
MW278.12 g/mol
LogP2.01
Rot. Bonds5

About 1-(2-bromo-6-fluoroanilino)-3-methoxypropan-2-ol

1-(2-bromo-6-fluoroanilino)-3-methoxypropan-2-ol (PubChem CID 107599499) has the molecular formula C10H13BrFNO2 and a molecular weight of 278.12 g/mol. Its IUPAC name is 1-(2-bromo-6-fluoroanilino)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-6-fluoroanilino)-3-methoxypropan-2-ol
PubChem CID107599499
Molecular FormulaC10H13BrFNO2
Molecular Weight278.12 g/mol
Exact Mass277.01
IUPAC Name1-(2-bromo-6-fluoroanilino)-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1c(F)cccc1Br
InChIInChI=1S/C10H13BrFNO2/c1-15-6-7(14)5-13-10-8(11)3-2-4-9(10)12/h2-4,7,13-14H,5-6H2,1H3
InChIKeySSCUMTOQBSGFQR-UHFFFAOYSA-N
XLogP2.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-fluoro-N-(3-methoxy-2-methylpropyl)aniline
CID 107598486
(2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol
CID 107599492
2-bromo-6-fluoro-N-(2-methoxypropyl)aniline
CID 107599525
3-(2-bromo-6-fluoroanilino)-2-methylpropanenitrile
CID 107599348
1-(2-bromo-5-fluoroanilino)-3-methoxypropan-2-ol
CID 107636062
(2S)-1-[(8-bromoquinolin-2-yl)amino]-3-methoxypropan-2-ol
CID 97062756
2-(2,6-dibromoanilino)-1-(2,6-difluorophenyl)ethanol
CID 107598972
1-(3-fluoroanilino)-3-methoxypropan-2-ol
CID 63928582
1-(2-amino-5-bromo-4-fluoroanilino)-3-methoxypropan-2-ol
CID 116735989
3-fluoro-2-[(3-hydroxy-4-methoxybutyl)amino]benzoic acid
CID 114163756
(2S)-1-[[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]amino]-3-methoxypropan-2-ol
CID 110020517
1-[(8-fluoro-2-methylquinolin-4-yl)amino]-3-methoxypropan-2-ol
CID 133394041

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluoroanilino)-3-methoxypropan-2-ol?
The IUPAC name of 1-(2-bromo-6-fluoroanilino)-3-methoxypropan-2-ol (CID 107599499) is 1-(2-bromo-6-fluoroanilino)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(2-bromo-6-fluoroanilino)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(2-bromo-6-fluoroanilino)-3-methoxypropan-2-ol is COCC(O)CNc1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluoroanilino)-3-methoxypropan-2-ol?
The InChIKey is SSCUMTOQBSGFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2/c1-15-6-7(14)5-13-10-8(11)3-2-4-9(10)12/h2-4,7,13-14H,5-6H2,1H3.
What are the key properties of 1-(2-bromo-6-fluoroanilino)-3-methoxypropan-2-ol?
1-(2-bromo-6-fluoroanilino)-3-methoxypropan-2-ol has a molecular weight of 278.12 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluoroanilino)-3-methoxypropan-2-ol is sourced from PubChem (CID 107599499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).