2-bromo-N-nonan-2-ylaniline

C15H24BrN — CID 43129843

IUPAC2-bromo-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1ccccc1Br
InChIInChI=1S/C15H24BrN/c1-3-4-5-6-7-10-13(2)17-15-12-9-8-11-14(15)16/h8-9,11-13,17H,3-7,10H2,1-2H3
InChIKeyZQIZYNWBXNKUJV-UHFFFAOYSA-N
MW298.27 g/mol
LogP5.61
Rot. Bonds8

About 2-bromo-N-nonan-2-ylaniline

2-bromo-N-nonan-2-ylaniline (PubChem CID 43129843) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-bromo-N-nonan-2-ylaniline.

Molecular Properties

Compound Name2-bromo-N-nonan-2-ylaniline
PubChem CID43129843
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC Name2-bromo-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1ccccc1Br
InChIInChI=1S/C15H24BrN/c1-3-4-5-6-7-10-13(2)17-15-12-9-8-11-14(15)16/h8-9,11-13,17H,3-7,10H2,1-2H3
InChIKeyZQIZYNWBXNKUJV-UHFFFAOYSA-N
XLogP5.61
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 ≤ 55.61
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

2-(2-bromoanilino)octan-1-ol
CID 61050635
3-bromo-N-heptan-2-ylpyridin-4-amine
CID 104776911
2-bromo-N-butan-2-ylaniline
CID 43194515
2-bromo-5-chloro-N-octan-2-ylaniline
CID 81270708
2-bromo-5-fluoro-N-octan-2-ylaniline
CID 107632967
N-octan-2-yl-2-(trifluoromethyl)aniline
CID 43129732
4-bromo-2,3-dichloro-N-octan-2-ylaniline
CID 107787672
2-(nonan-2-ylamino)benzonitrile
CID 43129839
2-bromo-4-fluoro-N-heptan-2-ylaniline
CID 43119311
2,3-dimethyl-N-nonan-2-ylaniline
CID 43129897
[2-(heptan-2-ylamino)phenyl]methanol
CID 43743067
2-bromo-6-fluoro-N-nonan-2-ylaniline
CID 107597794

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-nonan-2-ylaniline?
The IUPAC name of 2-bromo-N-nonan-2-ylaniline (CID 43129843) is 2-bromo-N-nonan-2-ylaniline.
What is the SMILES notation for 2-bromo-N-nonan-2-ylaniline?
The canonical SMILES for 2-bromo-N-nonan-2-ylaniline is CCCCCCCC(C)Nc1ccccc1Br.
What is the InChIKey of 2-bromo-N-nonan-2-ylaniline?
The InChIKey is ZQIZYNWBXNKUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-3-4-5-6-7-10-13(2)17-15-12-9-8-11-14(15)16/h8-9,11-13,17H,3-7,10H2,1-2H3.
What are the key properties of 2-bromo-N-nonan-2-ylaniline?
2-bromo-N-nonan-2-ylaniline has a molecular weight of 298.27 g/mol, XLogP of 5.61, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-nonan-2-ylaniline is sourced from PubChem (CID 43129843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).