1-(4-bromo-2-methylphenyl)-N-methyldecan-1-amine

C18H30BrN — CID 115831324

IUPAC1-(4-bromo-2-methylphenyl)-N-methyldecan-1-amine
SMILESCCCCCCCCCC(NC)c1ccc(Br)cc1C
InChIInChI=1S/C18H30BrN/c1-4-5-6-7-8-9-10-11-18(20-3)17-13-12-16(19)14-15(17)2/h12-14,18,20H,4-11H2,1-3H3
InChIKeyXYHKKEGIIGCCIE-UHFFFAOYSA-N
MW340.35 g/mol
LogP6.16
Rot. Bonds10

About 1-(4-bromo-2-methylphenyl)-N-methyldecan-1-amine

1-(4-bromo-2-methylphenyl)-N-methyldecan-1-amine (PubChem CID 115831324) has the molecular formula C18H30BrN and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-N-methyldecan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-N-methyldecan-1-amine
PubChem CID115831324
Molecular FormulaC18H30BrN
Molecular Weight340.35 g/mol
Exact Mass339.16
IUPAC Name1-(4-bromo-2-methylphenyl)-N-methyldecan-1-amine
SMILESCCCCCCCCCC(NC)c1ccc(Br)cc1C
InChIInChI=1S/C18H30BrN/c1-4-5-6-7-8-9-10-11-18(20-3)17-13-12-16(19)14-15(17)2/h12-14,18,20H,4-11H2,1-3H3
InChIKeyXYHKKEGIIGCCIE-UHFFFAOYSA-N
XLogP6.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.35
LogP ≤ 56.16
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-(5-bromo-2-methylphenyl)-N-methylheptan-1-amine
CID 115833849
1-(4-bromo-2-methylphenyl)undecylhydrazine
CID 105298297
1-(4-bromo-2-methylphenyl)octylhydrazine
CID 105293450
1-(2,4-dimethylphenyl)-N-methylundecan-1-amine
CID 115845807
1-(4-bromo-2-chlorophenyl)-N-methylundecan-1-amine
CID 115845773
1-(4-fluoro-2-methylphenyl)-N-methylheptan-1-amine
CID 81279034
1-(5-bromo-2-chlorophenyl)-N-methylundecan-1-amine
CID 115846020
1-(4-bromo-2-methylphenyl)-4-methoxy-N-methylbutan-1-amine
CID 105054811
1-(4-bromo-2-methylphenyl)-N-methylhex-5-yn-1-amine
CID 105033715
1-(2-bromo-4-methylphenyl)-N-methylundecan-1-amine
CID 115845869
1-(4-bromo-2-methylphenyl)-N-propylpentan-1-amine
CID 115832820
1-(5-bromo-2-methoxyphenyl)-N-methylnonan-1-amine
CID 65448568

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-N-methyldecan-1-amine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-N-methyldecan-1-amine (CID 115831324) is 1-(4-bromo-2-methylphenyl)-N-methyldecan-1-amine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-N-methyldecan-1-amine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-N-methyldecan-1-amine is CCCCCCCCCC(NC)c1ccc(Br)cc1C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-N-methyldecan-1-amine?
The InChIKey is XYHKKEGIIGCCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BrN/c1-4-5-6-7-8-9-10-11-18(20-3)17-13-12-16(19)14-15(17)2/h12-14,18,20H,4-11H2,1-3H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-N-methyldecan-1-amine?
1-(4-bromo-2-methylphenyl)-N-methyldecan-1-amine has a molecular weight of 340.35 g/mol, XLogP of 6.16, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-N-methyldecan-1-amine is sourced from PubChem (CID 115831324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).