6-(2-bromo-4,5-dimethylphenyl)heptan-3-amine

C15H24BrN — CID 83921860

IUPAC6-(2-bromo-4,5-dimethylphenyl)heptan-3-amine
SMILESCCC(N)CCC(C)c1cc(C)c(C)cc1Br
InChIInChI=1S/C15H24BrN/c1-5-13(17)7-6-10(2)14-8-11(3)12(4)9-15(14)16/h8-10,13H,5-7,17H2,1-4H3
InChIKeyZUNBGXIBUMKRGY-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.69
Rot. Bonds5

About 6-(2-bromo-4,5-dimethylphenyl)heptan-3-amine

6-(2-bromo-4,5-dimethylphenyl)heptan-3-amine (PubChem CID 83921860) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is 6-(2-bromo-4,5-dimethylphenyl)heptan-3-amine.

Molecular Properties

Compound Name6-(2-bromo-4,5-dimethylphenyl)heptan-3-amine
PubChem CID83921860
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC Name6-(2-bromo-4,5-dimethylphenyl)heptan-3-amine
SMILESCCC(N)CCC(C)c1cc(C)c(C)cc1Br
InChIInChI=1S/C15H24BrN/c1-5-13(17)7-6-10(2)14-8-11(3)12(4)9-15(14)16/h8-10,13H,5-7,17H2,1-4H3
InChIKeyZUNBGXIBUMKRGY-UHFFFAOYSA-N
XLogP4.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(2,4-dimethylphenyl)heptan-3-amine
CID 83927991
6-(2-bromo-4,5-dimethylphenyl)heptane-3,4-diol
CID 83921965
6-(2,5-diethoxyphenyl)heptan-3-amine
CID 83942784
1-bromo-2-hex-4-yn-2-yl-4,5-dimethylbenzene
CID 83921906
1-(2-bromo-4,5-dimethylphenyl)butan-1-ol
CID 83988264
6-(2-chlorophenyl)heptan-3-amine
CID 83924191
6-(5-chloro-4-methyl-2-propoxyphenyl)heptan-3-amine
CID 83937721
2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 64989658
6-(4-ethoxy-3-methoxyphenyl)heptan-3-amine
CID 83938317
6-(4-bromo-3-methylphenyl)hexan-3-amine
CID 83936315
6-(4-methoxyphenyl)heptan-3-amine
CID 83932078
1,4-dibromo-2-(1-bromobutyl)-5-methylbenzene
CID 81473463

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4,5-dimethylphenyl)heptan-3-amine?
The IUPAC name of 6-(2-bromo-4,5-dimethylphenyl)heptan-3-amine (CID 83921860) is 6-(2-bromo-4,5-dimethylphenyl)heptan-3-amine.
What is the SMILES notation for 6-(2-bromo-4,5-dimethylphenyl)heptan-3-amine?
The canonical SMILES for 6-(2-bromo-4,5-dimethylphenyl)heptan-3-amine is CCC(N)CCC(C)c1cc(C)c(C)cc1Br.
What is the InChIKey of 6-(2-bromo-4,5-dimethylphenyl)heptan-3-amine?
The InChIKey is ZUNBGXIBUMKRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-5-13(17)7-6-10(2)14-8-11(3)12(4)9-15(14)16/h8-10,13H,5-7,17H2,1-4H3.
What are the key properties of 6-(2-bromo-4,5-dimethylphenyl)heptan-3-amine?
6-(2-bromo-4,5-dimethylphenyl)heptan-3-amine has a molecular weight of 298.27 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-4,5-dimethylphenyl)heptan-3-amine is sourced from PubChem (CID 83921860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).