1-(3-bromo-2,4,6-trimethylphenyl)hexan-1-amine

C15H24BrN — CID 114249229

IUPAC1-(3-bromo-2,4,6-trimethylphenyl)hexan-1-amine
SMILESCCCCCC(N)c1c(C)cc(C)c(Br)c1C
InChIInChI=1S/C15H24BrN/c1-5-6-7-8-13(17)14-10(2)9-11(3)15(16)12(14)4/h9,13H,5-8,17H2,1-4H3
InChIKeyHNOSLPDHVTWBIG-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.95
Rot. Bonds5

About 1-(3-bromo-2,4,6-trimethylphenyl)hexan-1-amine

1-(3-bromo-2,4,6-trimethylphenyl)hexan-1-amine (PubChem CID 114249229) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is 1-(3-bromo-2,4,6-trimethylphenyl)hexan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2,4,6-trimethylphenyl)hexan-1-amine
PubChem CID114249229
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC Name1-(3-bromo-2,4,6-trimethylphenyl)hexan-1-amine
SMILESCCCCCC(N)c1c(C)cc(C)c(Br)c1C
InChIInChI=1S/C15H24BrN/c1-5-6-7-8-13(17)14-10(2)9-11(3)15(16)12(14)4/h9,13H,5-8,17H2,1-4H3
InChIKeyHNOSLPDHVTWBIG-UHFFFAOYSA-N
XLogP4.95
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 ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-2,4,6-trimethylphenyl)propan-1-amine
CID 82630244
1-(2,3,5,6-tetramethylphenyl)nonan-1-amine
CID 65448374
1-(4-bromo-3,5-dimethylphenyl)heptan-1-amine
CID 114330157
1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 114752275
4-[(1R)-1-aminopentyl]-3,5-dimethylphenol;hydrochloride
CID 171198708
1-(2,6-difluoro-3-methylphenyl)hexan-1-amine
CID 115837632
(1R)-1-(5-bromo-2-methylphenyl)hexan-1-amine;hydrochloride
CID 171203851
(1S)-1-(2,6-difluoro-3-methylphenyl)hexan-1-amine;hydrochloride
CID 171229559
1-(2,3-dimethylnaphthalen-1-yl)dodecan-1-amine
CID 21316120
1-(2,3-dimethylnaphthalen-1-yl)hexadecan-1-amine
CID 21316096
(1R)-1-(2-chloro-6-methylphenyl)hexan-1-amine;hydrochloride
CID 171210725
1-(3-bromo-2-methylphenyl)octan-1-amine
CID 115832299

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,4,6-trimethylphenyl)hexan-1-amine?
The IUPAC name of 1-(3-bromo-2,4,6-trimethylphenyl)hexan-1-amine (CID 114249229) is 1-(3-bromo-2,4,6-trimethylphenyl)hexan-1-amine.
What is the SMILES notation for 1-(3-bromo-2,4,6-trimethylphenyl)hexan-1-amine?
The canonical SMILES for 1-(3-bromo-2,4,6-trimethylphenyl)hexan-1-amine is CCCCCC(N)c1c(C)cc(C)c(Br)c1C.
What is the InChIKey of 1-(3-bromo-2,4,6-trimethylphenyl)hexan-1-amine?
The InChIKey is HNOSLPDHVTWBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-5-6-7-8-13(17)14-10(2)9-11(3)15(16)12(14)4/h9,13H,5-8,17H2,1-4H3.
What are the key properties of 1-(3-bromo-2,4,6-trimethylphenyl)hexan-1-amine?
1-(3-bromo-2,4,6-trimethylphenyl)hexan-1-amine has a molecular weight of 298.27 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,4,6-trimethylphenyl)hexan-1-amine is sourced from PubChem (CID 114249229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).