6-(4-bromo-2,5-dimethylphenyl)-N-methylhexan-1-amine

C15H24BrN — CID 65306316

IUPAC6-(4-bromo-2,5-dimethylphenyl)-N-methylhexan-1-amine
SMILESCNCCCCCCc1cc(C)c(Br)cc1C
InChIInChI=1S/C15H24BrN/c1-12-11-15(16)13(2)10-14(12)8-6-4-5-7-9-17-3/h10-11,17H,4-9H2,1-3H3
InChIKeyOVQCVEMMRCLIKH-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.39
Rot. Bonds7

About 6-(4-bromo-2,5-dimethylphenyl)-N-methylhexan-1-amine

6-(4-bromo-2,5-dimethylphenyl)-N-methylhexan-1-amine (PubChem CID 65306316) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is 6-(4-bromo-2,5-dimethylphenyl)-N-methylhexan-1-amine.

Molecular Properties

Compound Name6-(4-bromo-2,5-dimethylphenyl)-N-methylhexan-1-amine
PubChem CID65306316
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC Name6-(4-bromo-2,5-dimethylphenyl)-N-methylhexan-1-amine
SMILESCNCCCCCCc1cc(C)c(Br)cc1C
InChIInChI=1S/C15H24BrN/c1-12-11-15(16)13(2)10-14(12)8-6-4-5-7-9-17-3/h10-11,17H,4-9H2,1-3H3
InChIKeyOVQCVEMMRCLIKH-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 54.39
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

5-(4-bromo-2,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine
CID 65305614
3-(4-bromo-2,5-dimethylphenyl)propan-1-amine
CID 84801554
5-(4-bromo-5-chloro-2-fluorophenyl)-N-methylpentan-1-amine
CID 105400371
2-(4-bromo-5-methoxy-2-methylphenyl)-N-methylethanamine
CID 84805815
5-(3-bromo-5-methylthiophen-2-yl)-N-methylpentan-1-amine
CID 65305729
N'-[2-(5-bromo-2-methylphenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202149
3-(4-bromo-3-methylphenyl)-N-methylpropan-1-amine
CID 82293297
5-(4,5-dibromothiophen-2-yl)-N-methylpentan-1-amine
CID 80534928
(4-bromo-2,5-dimethylphenyl)methanol
CID 23584045
4-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-methylbutan-1-amine
CID 65305528
1-bromo-4,5-dimethyl-2-pentylbenzene
CID 123510060
4-(2-chloro-5-fluoro-4-methylphenyl)-N-methylbutan-1-amine
CID 116924844

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2,5-dimethylphenyl)-N-methylhexan-1-amine?
The IUPAC name of 6-(4-bromo-2,5-dimethylphenyl)-N-methylhexan-1-amine (CID 65306316) is 6-(4-bromo-2,5-dimethylphenyl)-N-methylhexan-1-amine.
What is the SMILES notation for 6-(4-bromo-2,5-dimethylphenyl)-N-methylhexan-1-amine?
The canonical SMILES for 6-(4-bromo-2,5-dimethylphenyl)-N-methylhexan-1-amine is CNCCCCCCc1cc(C)c(Br)cc1C.
What is the InChIKey of 6-(4-bromo-2,5-dimethylphenyl)-N-methylhexan-1-amine?
The InChIKey is OVQCVEMMRCLIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-12-11-15(16)13(2)10-14(12)8-6-4-5-7-9-17-3/h10-11,17H,4-9H2,1-3H3.
What are the key properties of 6-(4-bromo-2,5-dimethylphenyl)-N-methylhexan-1-amine?
6-(4-bromo-2,5-dimethylphenyl)-N-methylhexan-1-amine has a molecular weight of 298.27 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2,5-dimethylphenyl)-N-methylhexan-1-amine is sourced from PubChem (CID 65306316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).