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

C15H23Br2N — CID 55199601

IUPAC2,6-dibromo-4-methyl-N-(5-methylheptan-3-yl)aniline
SMILESCCC(C)CC(CC)Nc1c(Br)cc(C)cc1Br
InChIInChI=1S/C15H23Br2N/c1-5-10(3)7-12(6-2)18-15-13(16)8-11(4)9-14(15)17/h8-10,12,18H,5-7H2,1-4H3
InChIKeyILXZLTIKACBUEQ-UHFFFAOYSA-N
MW377.16 g/mol
LogP6.15
Rot. Bonds6

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

2,6-dibromo-4-methyl-N-(5-methylheptan-3-yl)aniline (PubChem CID 55199601) has the molecular formula C15H23Br2N and a molecular weight of 377.16 g/mol. Its IUPAC name is 2,6-dibromo-4-methyl-N-(5-methylheptan-3-yl)aniline.

Molecular Properties

Compound Name2,6-dibromo-4-methyl-N-(5-methylheptan-3-yl)aniline
PubChem CID55199601
Molecular FormulaC15H23Br2N
Molecular Weight377.16 g/mol
Exact Mass375.02
IUPAC Name2,6-dibromo-4-methyl-N-(5-methylheptan-3-yl)aniline
SMILESCCC(C)CC(CC)Nc1c(Br)cc(C)cc1Br
InChIInChI=1S/C15H23Br2N/c1-5-10(3)7-12(6-2)18-15-13(16)8-11(4)9-14(15)17/h8-10,12,18H,5-7H2,1-4H3
InChIKeyILXZLTIKACBUEQ-UHFFFAOYSA-N
XLogP6.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.16
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6-tribromo-N-(5-methylheptan-3-yl)aniline
CID 55197881
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
2,6-dibromo-4-methyl-N-(1-phenylbutan-2-yl)aniline
CID 79007261
2-bromo-5-chloro-4-methyl-N-(5-methylheptan-3-yl)aniline
CID 104722479
3-bromo-4-iodo-N-(5-methylheptan-3-yl)aniline
CID 114261964
2-methoxy-4-methyl-N-(5-methylheptan-3-yl)aniline
CID 63451274
2,6-dibromo-N-pentan-3-ylaniline
CID 107597667
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
4-chloro-N-(5-methylheptan-3-yl)aniline
CID 43109712
N-(5-methylheptan-3-yl)-3-propan-2-ylaniline
CID 43097145

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-methyl-N-(5-methylheptan-3-yl)aniline?
The IUPAC name of 2,6-dibromo-4-methyl-N-(5-methylheptan-3-yl)aniline (CID 55199601) is 2,6-dibromo-4-methyl-N-(5-methylheptan-3-yl)aniline.
What is the SMILES notation for 2,6-dibromo-4-methyl-N-(5-methylheptan-3-yl)aniline?
The canonical SMILES for 2,6-dibromo-4-methyl-N-(5-methylheptan-3-yl)aniline is CCC(C)CC(CC)Nc1c(Br)cc(C)cc1Br.
What is the InChIKey of 2,6-dibromo-4-methyl-N-(5-methylheptan-3-yl)aniline?
The InChIKey is ILXZLTIKACBUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Br2N/c1-5-10(3)7-12(6-2)18-15-13(16)8-11(4)9-14(15)17/h8-10,12,18H,5-7H2,1-4H3.
What are the key properties of 2,6-dibromo-4-methyl-N-(5-methylheptan-3-yl)aniline?
2,6-dibromo-4-methyl-N-(5-methylheptan-3-yl)aniline has a molecular weight of 377.16 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-methyl-N-(5-methylheptan-3-yl)aniline is sourced from PubChem (CID 55199601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).