4-bromo-2-ethyl-N-(2-phenylprop-2-enyl)aniline

C17H18BrN — CID 115328409

IUPAC4-bromo-2-ethyl-N-(2-phenylprop-2-enyl)aniline
SMILESC=C(CNc1ccc(Br)cc1CC)c1ccccc1
InChIInChI=1S/C17H18BrN/c1-3-14-11-16(18)9-10-17(14)19-12-13(2)15-7-5-4-6-8-15/h4-11,19H,2-3,12H2,1H3
InChIKeyMXHXWOQDKWVIDT-UHFFFAOYSA-N
MW316.24 g/mol
LogP5.14
Rot. Bonds5

About 4-bromo-2-ethyl-N-(2-phenylprop-2-enyl)aniline

4-bromo-2-ethyl-N-(2-phenylprop-2-enyl)aniline (PubChem CID 115328409) has the molecular formula C17H18BrN and a molecular weight of 316.24 g/mol. Its IUPAC name is 4-bromo-2-ethyl-N-(2-phenylprop-2-enyl)aniline.

Molecular Properties

Compound Name4-bromo-2-ethyl-N-(2-phenylprop-2-enyl)aniline
PubChem CID115328409
Molecular FormulaC17H18BrN
Molecular Weight316.24 g/mol
Exact Mass315.06
IUPAC Name4-bromo-2-ethyl-N-(2-phenylprop-2-enyl)aniline
SMILESC=C(CNc1ccc(Br)cc1CC)c1ccccc1
InChIInChI=1S/C17H18BrN/c1-3-14-11-16(18)9-10-17(14)19-12-13(2)15-7-5-4-6-8-15/h4-11,19H,2-3,12H2,1H3
InChIKeyMXHXWOQDKWVIDT-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.24
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-ethylanilino)-N,N-dimethylacetamide
CID 80979820
6-bromo-N-(2-phenylprop-2-enyl)naphthalen-2-amine
CID 115328408
1-(4-bromo-2-ethylphenyl)-3-(2-bromophenyl)urea
CID 17217802
4-bromo-2-ethyl-N-(2-methylpropyl)aniline
CID 81292281
4-bromo-2-ethyl-N-prop-2-ynylaniline
CID 80979330
4-bromo-N-butyl-2-ethylaniline
CID 81291753
(2S)-3-(4-bromo-2-ethylanilino)propane-1,2-diol
CID 81292963
2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide
CID 81288537
2-methoxy-N-(2-phenylprop-2-enyl)aniline
CID 113288070
3-(4-bromo-2-ethylanilino)butan-2-ol
CID 81292425
4-bromo-2-ethyl-N-heptylaniline
CID 81292359
N-(4-bromo-2-ethylphenyl)-3-phenylprop-2-ynamide
CID 81003933

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-N-(2-phenylprop-2-enyl)aniline?
The IUPAC name of 4-bromo-2-ethyl-N-(2-phenylprop-2-enyl)aniline (CID 115328409) is 4-bromo-2-ethyl-N-(2-phenylprop-2-enyl)aniline.
What is the SMILES notation for 4-bromo-2-ethyl-N-(2-phenylprop-2-enyl)aniline?
The canonical SMILES for 4-bromo-2-ethyl-N-(2-phenylprop-2-enyl)aniline is C=C(CNc1ccc(Br)cc1CC)c1ccccc1.
What is the InChIKey of 4-bromo-2-ethyl-N-(2-phenylprop-2-enyl)aniline?
The InChIKey is MXHXWOQDKWVIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN/c1-3-14-11-16(18)9-10-17(14)19-12-13(2)15-7-5-4-6-8-15/h4-11,19H,2-3,12H2,1H3.
What are the key properties of 4-bromo-2-ethyl-N-(2-phenylprop-2-enyl)aniline?
4-bromo-2-ethyl-N-(2-phenylprop-2-enyl)aniline has a molecular weight of 316.24 g/mol, XLogP of 5.14, 5 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-phenylprop-2-enyl)aniline is sourced from PubChem (CID 115328409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).