2,4,6-tribromo-N-(5-methylheptan-3-yl)aniline

C14H20Br3N — CID 55197881

IUPAC2,4,6-tribromo-N-(5-methylheptan-3-yl)aniline
SMILESCCC(C)CC(CC)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C14H20Br3N/c1-4-9(3)6-11(5-2)18-14-12(16)7-10(15)8-13(14)17/h7-9,11,18H,4-6H2,1-3H3
InChIKeyYLJUHRRQEZXZOP-UHFFFAOYSA-N
MW442.03 g/mol
LogP6.60
Rot. Bonds6

About 2,4,6-tribromo-N-(5-methylheptan-3-yl)aniline

2,4,6-tribromo-N-(5-methylheptan-3-yl)aniline (PubChem CID 55197881) has the molecular formula C14H20Br3N and a molecular weight of 442.03 g/mol. Its IUPAC name is 2,4,6-tribromo-N-(5-methylheptan-3-yl)aniline.

Molecular Properties

Compound Name2,4,6-tribromo-N-(5-methylheptan-3-yl)aniline
PubChem CID55197881
Molecular FormulaC14H20Br3N
Molecular Weight442.03 g/mol
Exact Mass438.91
IUPAC Name2,4,6-tribromo-N-(5-methylheptan-3-yl)aniline
SMILESCCC(C)CC(CC)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C14H20Br3N/c1-4-9(3)6-11(5-2)18-14-12(16)7-10(15)8-13(14)17/h7-9,11,18H,4-6H2,1-3H3
InChIKeyYLJUHRRQEZXZOP-UHFFFAOYSA-N
XLogP6.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.03
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dibromo-4-methyl-N-(5-methylheptan-3-yl)aniline
CID 55199601
4-bromo-2,6-dimethyl-N-(5-methylheptan-3-yl)aniline
CID 55191771
2-bromo-4,6-difluoro-N-(5-methylheptan-3-yl)aniline
CID 43347573
3-bromo-4-iodo-N-(5-methylheptan-3-yl)aniline
CID 114261964
2,4,6-tribromo-N-pentan-2-ylaniline
CID 43126298
2-bromo-5-chloro-4-methyl-N-(5-methylheptan-3-yl)aniline
CID 104722479
4-bromo-2,6-difluoro-N-pentan-3-ylaniline
CID 65469105
N-[2-(4-bromophenyl)propan-2-yl]-5-methylheptan-3-amine
CID 43740793
2,6-dibromo-N-pentan-3-ylaniline
CID 107597667
2-(2,4,6-tribromoanilino)butanoic acid
CID 64668151
5-chloro-N-(5-methylheptan-3-yl)-1,3-benzothiazol-4-amine
CID 43674821
3-bromo-5-chloro-2-(difluoromethoxy)-N-(5-methylheptan-3-yl)aniline
CID 63432835

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-N-(5-methylheptan-3-yl)aniline?
The IUPAC name of 2,4,6-tribromo-N-(5-methylheptan-3-yl)aniline (CID 55197881) is 2,4,6-tribromo-N-(5-methylheptan-3-yl)aniline.
What is the SMILES notation for 2,4,6-tribromo-N-(5-methylheptan-3-yl)aniline?
The canonical SMILES for 2,4,6-tribromo-N-(5-methylheptan-3-yl)aniline is CCC(C)CC(CC)Nc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 2,4,6-tribromo-N-(5-methylheptan-3-yl)aniline?
The InChIKey is YLJUHRRQEZXZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br3N/c1-4-9(3)6-11(5-2)18-14-12(16)7-10(15)8-13(14)17/h7-9,11,18H,4-6H2,1-3H3.
What are the key properties of 2,4,6-tribromo-N-(5-methylheptan-3-yl)aniline?
2,4,6-tribromo-N-(5-methylheptan-3-yl)aniline has a molecular weight of 442.03 g/mol, XLogP of 6.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-N-(5-methylheptan-3-yl)aniline is sourced from PubChem (CID 55197881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).