4-bromo-N-(2,6-dimethylheptan-4-yl)-2-methoxy-6-methylaniline

C17H28BrNO — CID 63449990

IUPAC4-bromo-N-(2,6-dimethylheptan-4-yl)-2-methoxy-6-methylaniline
SMILESCOc1cc(Br)cc(C)c1NC(CC(C)C)CC(C)C
InChIInChI=1S/C17H28BrNO/c1-11(2)7-15(8-12(3)4)19-17-13(5)9-14(18)10-16(17)20-6/h9-12,15,19H,7-8H2,1-6H3
InChIKeyAZPLZZQJPYWGEO-UHFFFAOYSA-N
MW342.32 g/mol
LogP5.64
Rot. Bonds7

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

4-bromo-N-(2,6-dimethylheptan-4-yl)-2-methoxy-6-methylaniline (PubChem CID 63449990) has the molecular formula C17H28BrNO and a molecular weight of 342.32 g/mol. Its IUPAC name is 4-bromo-N-(2,6-dimethylheptan-4-yl)-2-methoxy-6-methylaniline.

Molecular Properties

Compound Name4-bromo-N-(2,6-dimethylheptan-4-yl)-2-methoxy-6-methylaniline
PubChem CID63449990
Molecular FormulaC17H28BrNO
Molecular Weight342.32 g/mol
Exact Mass341.14
IUPAC Name4-bromo-N-(2,6-dimethylheptan-4-yl)-2-methoxy-6-methylaniline
SMILESCOc1cc(Br)cc(C)c1NC(CC(C)C)CC(C)C
InChIInChI=1S/C17H28BrNO/c1-11(2)7-15(8-12(3)4)19-17-13(5)9-14(18)10-16(17)20-6/h9-12,15,19H,7-8H2,1-6H3
InChIKeyAZPLZZQJPYWGEO-UHFFFAOYSA-N
XLogP5.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.32
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2,6-dimethylheptan-4-yl)-2,6-dimethylaniline
CID 63448812
4-bromo-2-methoxy-N-(3-methoxy-3-methylbutan-2-yl)-6-methylaniline
CID 114228199
4-bromo-2-methoxy-6-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 63449951
4-bromo-2-methoxy-6-methyl-N-(2-methyl-1-phenylpropyl)aniline
CID 63450033
2-[1-(4-bromo-2-methoxy-6-methylanilino)ethyl]phenol
CID 60942739
4-bromo-2-methoxy-6-methyl-N-(1-pyridin-3-ylethyl)aniline
CID 54864197
4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-6-methylaniline
CID 63752631
(2S)-2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)propanamide
CID 61147133
4-bromo-2-methoxy-6-methyl-N-(3-methylsulfanylpropyl)aniline
CID 60943372
4-bromo-2,6-dimethyl-N-(5-methylheptan-3-yl)aniline
CID 55191771
N-(4-bromo-2-methoxy-6-methylphenyl)-2-chloroethanesulfonamide
CID 107651570
N-(2,6-dimethylheptan-4-yl)-3,4-dimethoxyaniline
CID 29054156

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,6-dimethylheptan-4-yl)-2-methoxy-6-methylaniline?
The IUPAC name of 4-bromo-N-(2,6-dimethylheptan-4-yl)-2-methoxy-6-methylaniline (CID 63449990) is 4-bromo-N-(2,6-dimethylheptan-4-yl)-2-methoxy-6-methylaniline.
What is the SMILES notation for 4-bromo-N-(2,6-dimethylheptan-4-yl)-2-methoxy-6-methylaniline?
The canonical SMILES for 4-bromo-N-(2,6-dimethylheptan-4-yl)-2-methoxy-6-methylaniline is COc1cc(Br)cc(C)c1NC(CC(C)C)CC(C)C.
What is the InChIKey of 4-bromo-N-(2,6-dimethylheptan-4-yl)-2-methoxy-6-methylaniline?
The InChIKey is AZPLZZQJPYWGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO/c1-11(2)7-15(8-12(3)4)19-17-13(5)9-14(18)10-16(17)20-6/h9-12,15,19H,7-8H2,1-6H3.
What are the key properties of 4-bromo-N-(2,6-dimethylheptan-4-yl)-2-methoxy-6-methylaniline?
4-bromo-N-(2,6-dimethylheptan-4-yl)-2-methoxy-6-methylaniline has a molecular weight of 342.32 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,6-dimethylheptan-4-yl)-2-methoxy-6-methylaniline is sourced from PubChem (CID 63449990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).