5-(2-bromo-4,5-dimethylphenyl)pentan-2-amine

C13H20BrN — CID 83921907

IUPAC5-(2-bromo-4,5-dimethylphenyl)pentan-2-amine
SMILESCc1cc(Br)c(CCCC(C)N)cc1C
InChIInChI=1S/C13H20BrN/c1-9-7-12(6-4-5-11(3)15)13(14)8-10(9)2/h7-8,11H,4-6,15H2,1-3H3
InChIKeyLMRGAWHZIHTNJJ-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.74
Rot. Bonds4

About 5-(2-bromo-4,5-dimethylphenyl)pentan-2-amine

5-(2-bromo-4,5-dimethylphenyl)pentan-2-amine (PubChem CID 83921907) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is 5-(2-bromo-4,5-dimethylphenyl)pentan-2-amine.

Molecular Properties

Compound Name5-(2-bromo-4,5-dimethylphenyl)pentan-2-amine
PubChem CID83921907
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC Name5-(2-bromo-4,5-dimethylphenyl)pentan-2-amine
SMILESCc1cc(Br)c(CCCC(C)N)cc1C
InChIInChI=1S/C13H20BrN/c1-9-7-12(6-4-5-11(3)15)13(14)8-10(9)2/h7-8,11H,4-6,15H2,1-3H3
InChIKeyLMRGAWHZIHTNJJ-UHFFFAOYSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-(3-bromopropyl)-4,5-dimethylbenzene
CID 83921853
1-bromo-4,5-dimethyl-2-pentylbenzene
CID 123510060
5-(3-bromo-2-methylphenyl)pentan-2-amine
CID 83926001
(2S)-5-(3-chloro-2,4-difluoro-5-methylphenyl)pentan-2-amine
CID 90212930
4-amino-1-(2-bromo-4,5-dimethylphenyl)heptan-3-ol
CID 83921957
5-(4-fluoro-2-methylphenyl)pentan-2-amine
CID 114349377
5-bromo-4-butyl-2-methylaniline
CID 130538000
(2-bromo-4,5-dimethylphenyl)methanamine
CID 82627715
1-bromo-2-[(2-bromo-4,5-dimethylphenyl)methyl]-4,5-dimethylbenzene
CID 155667841
5-(2-methoxy-5-methylphenyl)pentan-2-amine
CID 64505046
(2S)-5-(2,3-difluoro-5-methylphenyl)pentan-2-amine
CID 90212679
1-bromo-2-ethyl-4,5-dimethylbenzene
CID 90213759

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4,5-dimethylphenyl)pentan-2-amine?
The IUPAC name of 5-(2-bromo-4,5-dimethylphenyl)pentan-2-amine (CID 83921907) is 5-(2-bromo-4,5-dimethylphenyl)pentan-2-amine.
What is the SMILES notation for 5-(2-bromo-4,5-dimethylphenyl)pentan-2-amine?
The canonical SMILES for 5-(2-bromo-4,5-dimethylphenyl)pentan-2-amine is Cc1cc(Br)c(CCCC(C)N)cc1C.
What is the InChIKey of 5-(2-bromo-4,5-dimethylphenyl)pentan-2-amine?
The InChIKey is LMRGAWHZIHTNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-9-7-12(6-4-5-11(3)15)13(14)8-10(9)2/h7-8,11H,4-6,15H2,1-3H3.
What are the key properties of 5-(2-bromo-4,5-dimethylphenyl)pentan-2-amine?
5-(2-bromo-4,5-dimethylphenyl)pentan-2-amine has a molecular weight of 270.21 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4,5-dimethylphenyl)pentan-2-amine is sourced from PubChem (CID 83921907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).