1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylhexan-1-amine

C15H24BrNO — CID 65433149

IUPAC1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylhexan-1-amine
SMILESCCCCCC(NC)c1cc(Br)c(C)cc1OC
InChIInChI=1S/C15H24BrNO/c1-5-6-7-8-14(17-3)12-10-13(16)11(2)9-15(12)18-4/h9-10,14,17H,5-8H2,1-4H3
InChIKeyOQOBHXHPJIXLSH-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.61
Rot. Bonds7

About 1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylhexan-1-amine

1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylhexan-1-amine (PubChem CID 65433149) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylhexan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylhexan-1-amine
PubChem CID65433149
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylhexan-1-amine
SMILESCCCCCC(NC)c1cc(Br)c(C)cc1OC
InChIInChI=1S/C15H24BrNO/c1-5-6-7-8-14(17-3)12-10-13(16)11(2)9-15(12)18-4/h9-10,14,17H,5-8H2,1-4H3
InChIKeyOQOBHXHPJIXLSH-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2-methoxy-4-methylphenyl)-N-ethylheptan-1-amine
CID 114752580
1-(2,5-dibromo-4-methylphenyl)-N-methyloctan-1-amine
CID 81473844
1-(2,5-dibromo-4-methylphenyl)-N-methyldecan-1-amine
CID 81473717
1-(4,5-dimethoxy-2-methylphenyl)-N-methyloctan-1-amine
CID 43626724
1-bromo-5-(1-bromooctyl)-4-methoxy-2-methylbenzene
CID 65433776
1-(5-bromo-2-methoxy-4-methylphenyl)decan-1-ol
CID 65433754
1-(5-bromo-2-methoxyphenyl)-N-methylnonan-1-amine
CID 65448568
1-(2-methoxy-4-methylphenyl)-N-methyldecan-1-amine
CID 106791994
1-(2-bromo-5-methoxyphenyl)-N-methyldecan-1-amine
CID 105124484
1-(5-bromo-2-methoxy-4-methylphenyl)-N,2-dimethylpentan-1-amine
CID 65438768
1-(5-bromo-2-methoxy-4-methylphenyl)-N-propylpropan-1-amine
CID 65433156
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine
CID 103394558

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylhexan-1-amine?
The IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylhexan-1-amine (CID 65433149) is 1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylhexan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylhexan-1-amine?
The canonical SMILES for 1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylhexan-1-amine is CCCCCC(NC)c1cc(Br)c(C)cc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylhexan-1-amine?
The InChIKey is OQOBHXHPJIXLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-5-6-7-8-14(17-3)12-10-13(16)11(2)9-15(12)18-4/h9-10,14,17H,5-8H2,1-4H3.
What are the key properties of 1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylhexan-1-amine?
1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylhexan-1-amine has a molecular weight of 314.27 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylhexan-1-amine is sourced from PubChem (CID 65433149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).