2-bromo-6-fluoro-N-(3-methoxy-2-methylpropyl)aniline

C11H15BrFNO — CID 107598486

IUPAC2-bromo-6-fluoro-N-(3-methoxy-2-methylpropyl)aniline
SMILESCOCC(C)CNc1c(F)cccc1Br
InChIInChI=1S/C11H15BrFNO/c1-8(7-15-2)6-14-11-9(12)4-3-5-10(11)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyWYTUTXOGCCOMFI-UHFFFAOYSA-N
MW276.15 g/mol
LogP3.28
Rot. Bonds5

About 2-bromo-6-fluoro-N-(3-methoxy-2-methylpropyl)aniline

2-bromo-6-fluoro-N-(3-methoxy-2-methylpropyl)aniline (PubChem CID 107598486) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-(3-methoxy-2-methylpropyl)aniline.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-(3-methoxy-2-methylpropyl)aniline
PubChem CID107598486
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name2-bromo-6-fluoro-N-(3-methoxy-2-methylpropyl)aniline
SMILESCOCC(C)CNc1c(F)cccc1Br
InChIInChI=1S/C11H15BrFNO/c1-8(7-15-2)6-14-11-9(12)4-3-5-10(11)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyWYTUTXOGCCOMFI-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-6-fluoroanilino)-3-methoxypropan-2-ol
CID 107599499
2-bromo-6-fluoro-N-(2-methoxypropyl)aniline
CID 107599525
(2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol
CID 107599492
3-(2-bromo-6-fluoroanilino)-2-methylpropanenitrile
CID 107599348
2,3-difluoro-N-(3-methoxy-2-methylpropyl)-6-nitroaniline
CID 62531449
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methoxy-2-methylpropan-1-amine
CID 112700304
2-bromo-6-fluoro-N-propan-2-ylaniline
CID 103747956
2,6-dibromo-N-(2-methylpentyl)aniline
CID 107597227
2,6-difluoro-N-(2-methylpropyl)aniline
CID 28974507
2-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-6-fluoroaniline
CID 107598423
2-ethyl-N-(3-methoxy-2-methylpropyl)-6-methylaniline
CID 116501156
3,4,5-trifluoro-N-(3-methoxy-2-methylpropyl)aniline
CID 116501289

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-(3-methoxy-2-methylpropyl)aniline?
The IUPAC name of 2-bromo-6-fluoro-N-(3-methoxy-2-methylpropyl)aniline (CID 107598486) is 2-bromo-6-fluoro-N-(3-methoxy-2-methylpropyl)aniline.
What is the SMILES notation for 2-bromo-6-fluoro-N-(3-methoxy-2-methylpropyl)aniline?
The canonical SMILES for 2-bromo-6-fluoro-N-(3-methoxy-2-methylpropyl)aniline is COCC(C)CNc1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluoro-N-(3-methoxy-2-methylpropyl)aniline?
The InChIKey is WYTUTXOGCCOMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-8(7-15-2)6-14-11-9(12)4-3-5-10(11)13/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of 2-bromo-6-fluoro-N-(3-methoxy-2-methylpropyl)aniline?
2-bromo-6-fluoro-N-(3-methoxy-2-methylpropyl)aniline has a molecular weight of 276.15 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-(3-methoxy-2-methylpropyl)aniline is sourced from PubChem (CID 107598486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).