3-bromo-N-(2-ethylhexyl)-2-methylaniline

C15H24BrN — CID 107633893

IUPAC3-bromo-N-(2-ethylhexyl)-2-methylaniline
SMILESCCCCC(CC)CNc1cccc(Br)c1C
InChIInChI=1S/C15H24BrN/c1-4-6-8-13(5-2)11-17-15-10-7-9-14(16)12(15)3/h7,9-10,13,17H,4-6,8,11H2,1-3H3
InChIKeySCBCDYODWPJAAE-UHFFFAOYSA-N
MW298.27 g/mol
LogP5.39
Rot. Bonds7

About 3-bromo-N-(2-ethylhexyl)-2-methylaniline

3-bromo-N-(2-ethylhexyl)-2-methylaniline (PubChem CID 107633893) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is 3-bromo-N-(2-ethylhexyl)-2-methylaniline.

Molecular Properties

Compound Name3-bromo-N-(2-ethylhexyl)-2-methylaniline
PubChem CID107633893
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC Name3-bromo-N-(2-ethylhexyl)-2-methylaniline
SMILESCCCCC(CC)CNc1cccc(Br)c1C
InChIInChI=1S/C15H24BrN/c1-4-6-8-13(5-2)11-17-15-10-7-9-14(16)12(15)3/h7,9-10,13,17H,4-6,8,11H2,1-3H3
InChIKeySCBCDYODWPJAAE-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.27
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-6-(2-ethylhexylamino)benzoic acid
CID 107818214
N-(2-ethylhexyl)-2,3-difluoroaniline
CID 63490651
2-bromo-N-(2-ethylhexyl)-4-(trifluoromethyl)aniline
CID 107816448
1-bromo-4-(2-ethylhexylamino)anthracene-9,10-dione
CID 89487467
4-bromo-1-N-(2-ethylhexyl)benzene-1,2-diamine
CID 107819769
4-bromo-2-chloro-N-(2-ethylhexyl)aniline
CID 63489227
N-(2-ethylhexyl)-2-(methoxymethyl)aniline
CID 63491201
4-bromo-2-N-(2-ethylhexyl)benzene-1,2-diamine
CID 114004564
1-(3-bromo-2-methylphenyl)-3-ethylheptan-1-ol
CID 114981334
3-(3-bromo-2-methylanilino)propane-1,2-diol
CID 107633538
1-N-(2-ethylhexyl)-3-propoxybenzene-1,2-diamine
CID 107819831
2-(3-bromo-2-methylanilino)hexanoic acid
CID 107636470

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-ethylhexyl)-2-methylaniline?
The IUPAC name of 3-bromo-N-(2-ethylhexyl)-2-methylaniline (CID 107633893) is 3-bromo-N-(2-ethylhexyl)-2-methylaniline.
What is the SMILES notation for 3-bromo-N-(2-ethylhexyl)-2-methylaniline?
The canonical SMILES for 3-bromo-N-(2-ethylhexyl)-2-methylaniline is CCCCC(CC)CNc1cccc(Br)c1C.
What is the InChIKey of 3-bromo-N-(2-ethylhexyl)-2-methylaniline?
The InChIKey is SCBCDYODWPJAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-4-6-8-13(5-2)11-17-15-10-7-9-14(16)12(15)3/h7,9-10,13,17H,4-6,8,11H2,1-3H3.
What are the key properties of 3-bromo-N-(2-ethylhexyl)-2-methylaniline?
3-bromo-N-(2-ethylhexyl)-2-methylaniline has a molecular weight of 298.27 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-ethylhexyl)-2-methylaniline is sourced from PubChem (CID 107633893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).