4-bromo-2-methyl-N-undecan-6-ylaniline

C18H30BrN — CID 63419193

IUPAC4-bromo-2-methyl-N-undecan-6-ylaniline
SMILESCCCCCC(CCCCC)Nc1ccc(Br)cc1C
InChIInChI=1S/C18H30BrN/c1-4-6-8-10-17(11-9-7-5-2)20-18-13-12-16(19)14-15(18)3/h12-14,17,20H,4-11H2,1-3H3
InChIKeyQFMKTKUHJHPBGU-UHFFFAOYSA-N
MW340.35 g/mol
LogP6.70
Rot. Bonds10

About 4-bromo-2-methyl-N-undecan-6-ylaniline

4-bromo-2-methyl-N-undecan-6-ylaniline (PubChem CID 63419193) has the molecular formula C18H30BrN and a molecular weight of 340.35 g/mol. Its IUPAC name is 4-bromo-2-methyl-N-undecan-6-ylaniline.

Molecular Properties

Compound Name4-bromo-2-methyl-N-undecan-6-ylaniline
PubChem CID63419193
Molecular FormulaC18H30BrN
Molecular Weight340.35 g/mol
Exact Mass339.16
IUPAC Name4-bromo-2-methyl-N-undecan-6-ylaniline
SMILESCCCCCC(CCCCC)Nc1ccc(Br)cc1C
InChIInChI=1S/C18H30BrN/c1-4-6-8-10-17(11-9-7-5-2)20-18-13-12-16(19)14-15(18)3/h12-14,17,20H,4-11H2,1-3H3
InChIKeyQFMKTKUHJHPBGU-UHFFFAOYSA-N
XLogP6.70
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 ≤ 56.70
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

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(1R)-1-(5-bromo-2-methylphenyl)hexan-1-amine;hydrochloride
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4-bromo-N-[1-(4-chlorophenyl)butyl]-2-methylaniline
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1-(4-bromo-2-methylphenyl)-N-methyldecan-1-amine
CID 115831324
4-bromo-2-methyl-N-(1-methylsulfonylpropan-2-yl)aniline
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1-(4-bromo-2-methylphenyl)undecylhydrazine
CID 105298297
N-(4-bromo-2-methylphenyl)octanamide
CID 4582485
4-bromo-2-fluoro-N-nonan-2-ylaniline
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1-(4-bromo-2-methylphenyl)octylhydrazine
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-N-undecan-6-ylaniline?
The IUPAC name of 4-bromo-2-methyl-N-undecan-6-ylaniline (CID 63419193) is 4-bromo-2-methyl-N-undecan-6-ylaniline.
What is the SMILES notation for 4-bromo-2-methyl-N-undecan-6-ylaniline?
The canonical SMILES for 4-bromo-2-methyl-N-undecan-6-ylaniline is CCCCCC(CCCCC)Nc1ccc(Br)cc1C.
What is the InChIKey of 4-bromo-2-methyl-N-undecan-6-ylaniline?
The InChIKey is QFMKTKUHJHPBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BrN/c1-4-6-8-10-17(11-9-7-5-2)20-18-13-12-16(19)14-15(18)3/h12-14,17,20H,4-11H2,1-3H3.
What are the key properties of 4-bromo-2-methyl-N-undecan-6-ylaniline?
4-bromo-2-methyl-N-undecan-6-ylaniline has a molecular weight of 340.35 g/mol, XLogP of 6.70, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-N-undecan-6-ylaniline is sourced from PubChem (CID 63419193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).