5-bromo-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline

C17H21BrN2 — CID 63551959

IUPAC5-bromo-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline
SMILESCCN(c1ccc(C)cc1)c1cc(Br)ccc1CNC
InChIInChI=1S/C17H21BrN2/c1-4-20(16-9-5-13(2)6-10-16)17-11-15(18)8-7-14(17)12-19-3/h5-11,19H,4,12H2,1-3H3
InChIKeyXSBMPRXXEQSNRD-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.63
Rot. Bonds5

About 5-bromo-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline

5-bromo-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline (PubChem CID 63551959) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline
PubChem CID63551959
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name5-bromo-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline
SMILESCCN(c1ccc(C)cc1)c1cc(Br)ccc1CNC
InChIInChI=1S/C17H21BrN2/c1-4-20(16-9-5-13(2)6-10-16)17-11-15(18)8-7-14(17)12-19-3/h5-11,19H,4,12H2,1-3H3
InChIKeyXSBMPRXXEQSNRD-UHFFFAOYSA-N
XLogP4.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline
CID 114850462
5-bromo-N,N-diethyl-2-(methylaminomethyl)aniline
CID 43280334
5-bromo-N,N-dimethyl-2-(methylaminomethyl)aniline
CID 43281259
4-bromo-2-(N-ethyl-4-methylanilino)benzaldehyde
CID 63536652
5-bromo-N-ethyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline
CID 43281059
1-[4-bromo-2-(N-ethyl-4-methylanilino)phenyl]ethanone
CID 82966813
4-bromo-2-(N-ethyl-4-methylanilino)benzenecarbothioamide
CID 114903107
[4-bromo-2-(N-ethylanilino)phenyl]methanol
CID 43365038
5-bromo-N-butan-2-yl-N-methyl-2-(methylaminomethyl)aniline
CID 43281950
5-bromo-N-ethyl-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 54949226
5-bromo-N-cyclohexyl-N-ethyl-2-(methylaminomethyl)aniline
CID 43280941
N-ethyl-N-(4-fluorophenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-amine
CID 81246360

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline?
The IUPAC name of 5-bromo-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline (CID 63551959) is 5-bromo-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline.
What is the SMILES notation for 5-bromo-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline?
The canonical SMILES for 5-bromo-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline is CCN(c1ccc(C)cc1)c1cc(Br)ccc1CNC.
What is the InChIKey of 5-bromo-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline?
The InChIKey is XSBMPRXXEQSNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-4-20(16-9-5-13(2)6-10-16)17-11-15(18)8-7-14(17)12-19-3/h5-11,19H,4,12H2,1-3H3.
What are the key properties of 5-bromo-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline?
5-bromo-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline has a molecular weight of 333.27 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline is sourced from PubChem (CID 63551959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).