4-bromo-N-(2,6-dimethylheptan-4-yl)-2,6-dimethylaniline

C17H28BrN — CID 63448812

IUPAC4-bromo-N-(2,6-dimethylheptan-4-yl)-2,6-dimethylaniline
SMILESCc1cc(Br)cc(C)c1NC(CC(C)C)CC(C)C
InChIInChI=1S/C17H28BrN/c1-11(2)7-16(8-12(3)4)19-17-13(5)9-15(18)10-14(17)6/h9-12,16,19H,7-8H2,1-6H3
InChIKeyBHWIONHOSKWNGL-UHFFFAOYSA-N
MW326.32 g/mol
LogP5.94
Rot. Bonds6

About 4-bromo-N-(2,6-dimethylheptan-4-yl)-2,6-dimethylaniline

4-bromo-N-(2,6-dimethylheptan-4-yl)-2,6-dimethylaniline (PubChem CID 63448812) has the molecular formula C17H28BrN and a molecular weight of 326.32 g/mol. Its IUPAC name is 4-bromo-N-(2,6-dimethylheptan-4-yl)-2,6-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N-(2,6-dimethylheptan-4-yl)-2,6-dimethylaniline
PubChem CID63448812
Molecular FormulaC17H28BrN
Molecular Weight326.32 g/mol
Exact Mass325.14
IUPAC Name4-bromo-N-(2,6-dimethylheptan-4-yl)-2,6-dimethylaniline
SMILESCc1cc(Br)cc(C)c1NC(CC(C)C)CC(C)C
InChIInChI=1S/C17H28BrN/c1-11(2)7-16(8-12(3)4)19-17-13(5)9-15(18)10-14(17)6/h9-12,16,19H,7-8H2,1-6H3
InChIKeyBHWIONHOSKWNGL-UHFFFAOYSA-N
XLogP5.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.32
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(2,6-dimethylheptan-4-yl)-2-methoxy-6-methylaniline
CID 63449990
4-bromo-2,6-dimethyl-N-(5-methylheptan-3-yl)aniline
CID 55191771
2-bromo-6-chloro-N-(2,6-dimethylheptan-4-yl)-4-fluoroaniline
CID 107610149
3-(4-bromo-2,6-dimethylanilino)-2-methylbutan-2-ol
CID 65337462
2-(4-bromo-2,6-dimethylanilino)-N-methylpropanamide
CID 43116694
4-bromo-N-[1-(4-bromothiophen-2-yl)ethyl]-2,6-dimethylaniline
CID 107354261
(2R)-1-(4-bromo-2,6-dimethylanilino)propan-2-ol
CID 106931818
4-bromo-N-(dicyclopropylmethyl)-2,6-dimethylaniline
CID 63449070
1-(4-bromo-2,6-dimethylphenyl)-3-(3-methylbutyl)thiourea
CID 100563628
N-(4-bromo-2,6-dimethylphenyl)-1-hydroxypropane-2-sulfonamide
CID 114133756
2-[1-(4-bromo-2,6-dimethylanilino)ethyl]benzene-1,4-diol
CID 60946215
4-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylaniline
CID 63448815

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,6-dimethylheptan-4-yl)-2,6-dimethylaniline?
The IUPAC name of 4-bromo-N-(2,6-dimethylheptan-4-yl)-2,6-dimethylaniline (CID 63448812) is 4-bromo-N-(2,6-dimethylheptan-4-yl)-2,6-dimethylaniline.
What is the SMILES notation for 4-bromo-N-(2,6-dimethylheptan-4-yl)-2,6-dimethylaniline?
The canonical SMILES for 4-bromo-N-(2,6-dimethylheptan-4-yl)-2,6-dimethylaniline is Cc1cc(Br)cc(C)c1NC(CC(C)C)CC(C)C.
What is the InChIKey of 4-bromo-N-(2,6-dimethylheptan-4-yl)-2,6-dimethylaniline?
The InChIKey is BHWIONHOSKWNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrN/c1-11(2)7-16(8-12(3)4)19-17-13(5)9-15(18)10-14(17)6/h9-12,16,19H,7-8H2,1-6H3.
What are the key properties of 4-bromo-N-(2,6-dimethylheptan-4-yl)-2,6-dimethylaniline?
4-bromo-N-(2,6-dimethylheptan-4-yl)-2,6-dimethylaniline has a molecular weight of 326.32 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,6-dimethylheptan-4-yl)-2,6-dimethylaniline is sourced from PubChem (CID 63448812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).