4-bromo-2-ethyl-N-(5-methylhexan-2-yl)aniline

C15H24BrN — CID 81291618

IUPAC4-bromo-2-ethyl-N-(5-methylhexan-2-yl)aniline
SMILESCCc1cc(Br)ccc1NC(C)CCC(C)C
InChIInChI=1S/C15H24BrN/c1-5-13-10-14(16)8-9-15(13)17-12(4)7-6-11(2)3/h8-12,17H,5-7H2,1-4H3
InChIKeySDSOCRAUWTZNDE-UHFFFAOYSA-N
MW298.27 g/mol
LogP5.25
Rot. Bonds6

About 4-bromo-2-ethyl-N-(5-methylhexan-2-yl)aniline

4-bromo-2-ethyl-N-(5-methylhexan-2-yl)aniline (PubChem CID 81291618) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is 4-bromo-2-ethyl-N-(5-methylhexan-2-yl)aniline.

Molecular Properties

Compound Name4-bromo-2-ethyl-N-(5-methylhexan-2-yl)aniline
PubChem CID81291618
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC Name4-bromo-2-ethyl-N-(5-methylhexan-2-yl)aniline
SMILESCCc1cc(Br)ccc1NC(C)CCC(C)C
InChIInChI=1S/C15H24BrN/c1-5-13-10-14(16)8-9-15(13)17-12(4)7-6-11(2)3/h8-12,17H,5-7H2,1-4H3
InChIKeySDSOCRAUWTZNDE-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.27
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-N-(5-methylhexan-2-yl)aniline?
The IUPAC name of 4-bromo-2-ethyl-N-(5-methylhexan-2-yl)aniline (CID 81291618) is 4-bromo-2-ethyl-N-(5-methylhexan-2-yl)aniline.
What is the SMILES notation for 4-bromo-2-ethyl-N-(5-methylhexan-2-yl)aniline?
The canonical SMILES for 4-bromo-2-ethyl-N-(5-methylhexan-2-yl)aniline is CCc1cc(Br)ccc1NC(C)CCC(C)C.
What is the InChIKey of 4-bromo-2-ethyl-N-(5-methylhexan-2-yl)aniline?
The InChIKey is SDSOCRAUWTZNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-5-13-10-14(16)8-9-15(13)17-12(4)7-6-11(2)3/h8-12,17H,5-7H2,1-4H3.
What are the key properties of 4-bromo-2-ethyl-N-(5-methylhexan-2-yl)aniline?
4-bromo-2-ethyl-N-(5-methylhexan-2-yl)aniline has a molecular weight of 298.27 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-N-(5-methylhexan-2-yl)aniline is sourced from PubChem (CID 81291618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).