4-bromo-2-ethyl-N-(2-methylpropyl)aniline

C12H18BrN — CID 81292281

IUPAC4-bromo-2-ethyl-N-(2-methylpropyl)aniline
SMILESCCc1cc(Br)ccc1NCC(C)C
InChIInChI=1S/C12H18BrN/c1-4-10-7-11(13)5-6-12(10)14-8-9(2)3/h5-7,9,14H,4,8H2,1-3H3
InChIKeyQUWQYLBMIBATCK-UHFFFAOYSA-N
MW256.19 g/mol
LogP4.08
Rot. Bonds4

About 4-bromo-2-ethyl-N-(2-methylpropyl)aniline

4-bromo-2-ethyl-N-(2-methylpropyl)aniline (PubChem CID 81292281) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is 4-bromo-2-ethyl-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name4-bromo-2-ethyl-N-(2-methylpropyl)aniline
PubChem CID81292281
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC Name4-bromo-2-ethyl-N-(2-methylpropyl)aniline
SMILESCCc1cc(Br)ccc1NCC(C)C
InChIInChI=1S/C12H18BrN/c1-4-10-7-11(13)5-6-12(10)14-8-9(2)3/h5-7,9,14H,4,8H2,1-3H3
InChIKeyQUWQYLBMIBATCK-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-3-(4-bromo-2-ethylanilino)propane-1,2-diol
CID 81292963
3-(4-bromo-2-ethylanilino)butan-2-ol
CID 81292425
4-bromo-2-ethyl-N-(5-methylhexan-2-yl)aniline
CID 81291618
4-bromo-2-ethyl-N-prop-2-ynylaniline
CID 80979330
4-bromo-N-butyl-2-ethylaniline
CID 81291753
2-(4-bromo-2-ethylanilino)-1-(4-methoxyphenyl)ethanol
CID 81288515
4-bromo-2-ethyl-N-heptylaniline
CID 81292359
4-bromo-2-ethyl-N-(2-methylsulfonylethyl)aniline
CID 81292858
N-(4-bromo-2-ethylphenyl)-1-(methylamino)propane-2-sulfonamide
CID 114141749
N-(4-bromo-2-ethylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119727073
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline
CID 81291722
4-bromo-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 81292299

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-N-(2-methylpropyl)aniline?
The IUPAC name of 4-bromo-2-ethyl-N-(2-methylpropyl)aniline (CID 81292281) is 4-bromo-2-ethyl-N-(2-methylpropyl)aniline.
What is the SMILES notation for 4-bromo-2-ethyl-N-(2-methylpropyl)aniline?
The canonical SMILES for 4-bromo-2-ethyl-N-(2-methylpropyl)aniline is CCc1cc(Br)ccc1NCC(C)C.
What is the InChIKey of 4-bromo-2-ethyl-N-(2-methylpropyl)aniline?
The InChIKey is QUWQYLBMIBATCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN/c1-4-10-7-11(13)5-6-12(10)14-8-9(2)3/h5-7,9,14H,4,8H2,1-3H3.
What are the key properties of 4-bromo-2-ethyl-N-(2-methylpropyl)aniline?
4-bromo-2-ethyl-N-(2-methylpropyl)aniline has a molecular weight of 256.19 g/mol, XLogP of 4.08, 4 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-(2-methylpropyl)aniline is sourced from PubChem (CID 81292281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).