2,6-dibromo-N-(3-methoxybutan-2-yl)aniline

C11H15Br2NO — CID 107597295

IUPAC2,6-dibromo-N-(3-methoxybutan-2-yl)aniline
SMILESCOC(C)C(C)Nc1c(Br)cccc1Br
InChIInChI=1S/C11H15Br2NO/c1-7(8(2)15-3)14-11-9(12)5-4-6-10(11)13/h4-8,14H,1-3H3
InChIKeyWDBAIHYWVBOWMK-UHFFFAOYSA-N
MW337.06 g/mol
LogP4.05
Rot. Bonds4

About 2,6-dibromo-N-(3-methoxybutan-2-yl)aniline

2,6-dibromo-N-(3-methoxybutan-2-yl)aniline (PubChem CID 107597295) has the molecular formula C11H15Br2NO and a molecular weight of 337.06 g/mol. Its IUPAC name is 2,6-dibromo-N-(3-methoxybutan-2-yl)aniline.

Molecular Properties

Compound Name2,6-dibromo-N-(3-methoxybutan-2-yl)aniline
PubChem CID107597295
Molecular FormulaC11H15Br2NO
Molecular Weight337.06 g/mol
Exact Mass334.95
IUPAC Name2,6-dibromo-N-(3-methoxybutan-2-yl)aniline
SMILESCOC(C)C(C)Nc1c(Br)cccc1Br
InChIInChI=1S/C11H15Br2NO/c1-7(8(2)15-3)14-11-9(12)5-4-6-10(11)13/h4-8,14H,1-3H3
InChIKeyWDBAIHYWVBOWMK-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.06
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(3-methoxybutan-2-yl)aniline
CID 115928171
N-[(1R)-1-(2-bromophenyl)ethyl]-3-methoxybutan-2-amine
CID 103906291
4-bromo-N-(3-methoxybutan-2-yl)-3-methylaniline
CID 115917079
2,6-dibromo-N-pentan-3-ylaniline
CID 107597667
N-[1-(3-bromophenyl)ethyl]-3-methoxybutan-2-amine
CID 115708263
2,6-dibromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline
CID 107597117
2,6-dibromo-N-[1-(5-bromothiophen-2-yl)ethyl]aniline
CID 107597590
2-[1-(2,6-dibromoanilino)ethyl]phenol
CID 107597669
2,6-dibromo-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
CID 107597022
2-bromo-6-fluoro-N-propan-2-ylaniline
CID 103747956
2,6-dichloro-N-(1,1-dimethoxypropan-2-yl)aniline
CID 65468927
2-bromo-6-fluoro-N-(2-methoxypropyl)aniline
CID 107599525

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-(3-methoxybutan-2-yl)aniline?
The IUPAC name of 2,6-dibromo-N-(3-methoxybutan-2-yl)aniline (CID 107597295) is 2,6-dibromo-N-(3-methoxybutan-2-yl)aniline.
What is the SMILES notation for 2,6-dibromo-N-(3-methoxybutan-2-yl)aniline?
The canonical SMILES for 2,6-dibromo-N-(3-methoxybutan-2-yl)aniline is COC(C)C(C)Nc1c(Br)cccc1Br.
What is the InChIKey of 2,6-dibromo-N-(3-methoxybutan-2-yl)aniline?
The InChIKey is WDBAIHYWVBOWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO/c1-7(8(2)15-3)14-11-9(12)5-4-6-10(11)13/h4-8,14H,1-3H3.
What are the key properties of 2,6-dibromo-N-(3-methoxybutan-2-yl)aniline?
2,6-dibromo-N-(3-methoxybutan-2-yl)aniline has a molecular weight of 337.06 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-(3-methoxybutan-2-yl)aniline is sourced from PubChem (CID 107597295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).