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

C16H26BrN — CID 55191771

IUPAC4-bromo-2,6-dimethyl-N-(5-methylheptan-3-yl)aniline
SMILESCCC(C)CC(CC)Nc1c(C)cc(Br)cc1C
InChIInChI=1S/C16H26BrN/c1-6-11(3)8-15(7-2)18-16-12(4)9-14(17)10-13(16)5/h9-11,15,18H,6-8H2,1-5H3
InChIKeyUTWBXKLBXFADLD-UHFFFAOYSA-N
MW312.30 g/mol
LogP5.69
Rot. Bonds6

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

4-bromo-2,6-dimethyl-N-(5-methylheptan-3-yl)aniline (PubChem CID 55191771) has the molecular formula C16H26BrN and a molecular weight of 312.30 g/mol. Its IUPAC name is 4-bromo-2,6-dimethyl-N-(5-methylheptan-3-yl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-dimethyl-N-(5-methylheptan-3-yl)aniline
PubChem CID55191771
Molecular FormulaC16H26BrN
Molecular Weight312.30 g/mol
Exact Mass311.12
IUPAC Name4-bromo-2,6-dimethyl-N-(5-methylheptan-3-yl)aniline
SMILESCCC(C)CC(CC)Nc1c(C)cc(Br)cc1C
InChIInChI=1S/C16H26BrN/c1-6-11(3)8-15(7-2)18-16-12(4)9-14(17)10-13(16)5/h9-11,15,18H,6-8H2,1-5H3
InChIKeyUTWBXKLBXFADLD-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.30
LogP ≤ 55.69
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
2,6-dibromo-4-methyl-N-(5-methylheptan-3-yl)aniline
CID 55199601
4-bromo-N-(2,6-dimethylheptan-4-yl)-2,6-dimethylaniline
CID 63448812
2-bromo-4,6-difluoro-N-(5-methylheptan-3-yl)aniline
CID 43347573
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
4-bromo-N-(2,6-dimethylheptan-4-yl)-2-methoxy-6-methylaniline
CID 63449990
4-bromo-2,6-difluoro-N-pentan-3-ylaniline
CID 65469105
N,4-dimethyl-3-(5-methylheptan-3-ylamino)benzenesulfonamide
CID 43752075
2-methyl-N-(5-methylheptan-3-yl)-5-(trifluoromethyl)aniline
CID 66478749
3-bromo-5-chloro-2-(difluoromethoxy)-N-(5-methylheptan-3-yl)aniline
CID 63432835
3-(4-bromo-2,6-dimethylanilino)-2-methylbutan-2-ol
CID 65337462

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dimethyl-N-(5-methylheptan-3-yl)aniline?
The IUPAC name of 4-bromo-2,6-dimethyl-N-(5-methylheptan-3-yl)aniline (CID 55191771) is 4-bromo-2,6-dimethyl-N-(5-methylheptan-3-yl)aniline.
What is the SMILES notation for 4-bromo-2,6-dimethyl-N-(5-methylheptan-3-yl)aniline?
The canonical SMILES for 4-bromo-2,6-dimethyl-N-(5-methylheptan-3-yl)aniline is CCC(C)CC(CC)Nc1c(C)cc(Br)cc1C.
What is the InChIKey of 4-bromo-2,6-dimethyl-N-(5-methylheptan-3-yl)aniline?
The InChIKey is UTWBXKLBXFADLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN/c1-6-11(3)8-15(7-2)18-16-12(4)9-14(17)10-13(16)5/h9-11,15,18H,6-8H2,1-5H3.
What are the key properties of 4-bromo-2,6-dimethyl-N-(5-methylheptan-3-yl)aniline?
4-bromo-2,6-dimethyl-N-(5-methylheptan-3-yl)aniline has a molecular weight of 312.30 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dimethyl-N-(5-methylheptan-3-yl)aniline is sourced from PubChem (CID 55191771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).