2,6-dibromo-N-pentan-3-ylaniline

C11H15Br2N — CID 107597667

IUPAC2,6-dibromo-N-pentan-3-ylaniline
SMILESCCC(CC)Nc1c(Br)cccc1Br
InChIInChI=1S/C11H15Br2N/c1-3-8(4-2)14-11-9(12)6-5-7-10(11)13/h5-8,14H,3-4H2,1-2H3
InChIKeyASDWQIXCYPEOPR-UHFFFAOYSA-N
MW321.06 g/mol
LogP4.81
Rot. Bonds4

About 2,6-dibromo-N-pentan-3-ylaniline

2,6-dibromo-N-pentan-3-ylaniline (PubChem CID 107597667) has the molecular formula C11H15Br2N and a molecular weight of 321.06 g/mol. Its IUPAC name is 2,6-dibromo-N-pentan-3-ylaniline.

Molecular Properties

Compound Name2,6-dibromo-N-pentan-3-ylaniline
PubChem CID107597667
Molecular FormulaC11H15Br2N
Molecular Weight321.06 g/mol
Exact Mass318.96
IUPAC Name2,6-dibromo-N-pentan-3-ylaniline
SMILESCCC(CC)Nc1c(Br)cccc1Br
InChIInChI=1S/C11H15Br2N/c1-3-8(4-2)14-11-9(12)6-5-7-10(11)13/h5-8,14H,3-4H2,1-2H3
InChIKeyASDWQIXCYPEOPR-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.06
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,6-dibromoanilino)pentanenitrile
CID 107599042
2-(2,6-dibromoanilino)butanoic acid
CID 107597732
2,6-dibromo-N-[1-(4-fluorophenyl)propyl]aniline
CID 107597224
2,6-dibromo-4-methyl-N-(1-phenylbutan-2-yl)aniline
CID 79007261
2-(2,6-dibromoanilino)pentanoic acid
CID 107598874
3-[(2,6-dibromophenyl)carbamoylamino]pentanoic acid
CID 107601726
4-bromo-2,6-difluoro-N-pentan-3-ylaniline
CID 65469105
2-(2,6-dibromoanilino)hexanoic acid
CID 107601030
2,4,6-tribromo-N-(5-methylheptan-3-yl)aniline
CID 55197881
2,6-dibromo-N-(3-methoxybutan-2-yl)aniline
CID 107597295
ethyl 3-(2,6-dibromoanilino)butanoate
CID 107598977
2,6-dibromo-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 107596896

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-pentan-3-ylaniline?
The IUPAC name of 2,6-dibromo-N-pentan-3-ylaniline (CID 107597667) is 2,6-dibromo-N-pentan-3-ylaniline.
What is the SMILES notation for 2,6-dibromo-N-pentan-3-ylaniline?
The canonical SMILES for 2,6-dibromo-N-pentan-3-ylaniline is CCC(CC)Nc1c(Br)cccc1Br.
What is the InChIKey of 2,6-dibromo-N-pentan-3-ylaniline?
The InChIKey is ASDWQIXCYPEOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2N/c1-3-8(4-2)14-11-9(12)6-5-7-10(11)13/h5-8,14H,3-4H2,1-2H3.
What are the key properties of 2,6-dibromo-N-pentan-3-ylaniline?
2,6-dibromo-N-pentan-3-ylaniline has a molecular weight of 321.06 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-pentan-3-ylaniline is sourced from PubChem (CID 107597667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).