4-bromo-N-(2-methyloctyl)aniline

C15H24BrN — CID 135385362

IUPAC4-bromo-N-(2-methyloctyl)aniline
SMILESCCCCCCC(C)CNc1ccc(Br)cc1
InChIInChI=1S/C15H24BrN/c1-3-4-5-6-7-13(2)12-17-15-10-8-14(16)9-11-15/h8-11,13,17H,3-7,12H2,1-2H3
InChIKeyAPFBWAIABOKCRP-UHFFFAOYSA-N
MW298.27 g/mol
LogP5.47
Rot. Bonds8

About 4-bromo-N-(2-methyloctyl)aniline

4-bromo-N-(2-methyloctyl)aniline (PubChem CID 135385362) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is 4-bromo-N-(2-methyloctyl)aniline.

Molecular Properties

Compound Name4-bromo-N-(2-methyloctyl)aniline
PubChem CID135385362
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC Name4-bromo-N-(2-methyloctyl)aniline
SMILESCCCCCCC(C)CNc1ccc(Br)cc1
InChIInChI=1S/C15H24BrN/c1-3-4-5-6-7-13(2)12-17-15-10-8-14(16)9-11-15/h8-11,13,17H,3-7,12H2,1-2H3
InChIKeyAPFBWAIABOKCRP-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.27
LogP ≤ 55.47
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-N-methyl-4-N-(2-methyloctyl)benzene-1,4-diamine
CID 102434501
4-bromo-N-(2-methylbutyl)aniline
CID 43201294
4-butyl-N-(2-methylpentyl)aniline
CID 43108404
(2S)-1-(4-bromoanilino)propan-2-ol
CID 39247732
N-(2-methylpentyl)-4-propan-2-ylaniline
CID 43103738
2-ethenoxy-N,N'-bis[4-(2-methylundecyl)phenyl]propane-1,3-diamine
CID 91089363
2-(4-bromoanilino)octanoic acid
CID 55223557
N-(4-bromophenyl)-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
CID 55195304
N-[1-(4-bromophenyl)ethyl]nonan-2-amine
CID 63454622
4-(2-hydroxynonadecylamino)phenol
CID 162495059
1-N-(4-bromophenyl)-3-methylbutane-1,2-diamine
CID 83951307
(1S)-1-(4-bromophenyl)octan-1-ol
CID 124554353

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methyloctyl)aniline?
The IUPAC name of 4-bromo-N-(2-methyloctyl)aniline (CID 135385362) is 4-bromo-N-(2-methyloctyl)aniline.
What is the SMILES notation for 4-bromo-N-(2-methyloctyl)aniline?
The canonical SMILES for 4-bromo-N-(2-methyloctyl)aniline is CCCCCCC(C)CNc1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-methyloctyl)aniline?
The InChIKey is APFBWAIABOKCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-3-4-5-6-7-13(2)12-17-15-10-8-14(16)9-11-15/h8-11,13,17H,3-7,12H2,1-2H3.
What are the key properties of 4-bromo-N-(2-methyloctyl)aniline?
4-bromo-N-(2-methyloctyl)aniline has a molecular weight of 298.27 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methyloctyl)aniline is sourced from PubChem (CID 135385362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).