2-(2-aminoethyl)-5-bromo-N-methyl-N-(2-phenylethyl)aniline

C17H21BrN2 — CID 65486388

IUPAC2-(2-aminoethyl)-5-bromo-N-methyl-N-(2-phenylethyl)aniline
SMILESCN(CCc1ccccc1)c1cc(Br)ccc1CCN
InChIInChI=1S/C17H21BrN2/c1-20(12-10-14-5-3-2-4-6-14)17-13-16(18)8-7-15(17)9-11-19/h2-8,13H,9-12,19H2,1H3
InChIKeyDUFRKXARWBUQNH-UHFFFAOYSA-N
MW333.27 g/mol
LogP3.63
Rot. Bonds6

About 2-(2-aminoethyl)-5-bromo-N-methyl-N-(2-phenylethyl)aniline

2-(2-aminoethyl)-5-bromo-N-methyl-N-(2-phenylethyl)aniline (PubChem CID 65486388) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-bromo-N-methyl-N-(2-phenylethyl)aniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-bromo-N-methyl-N-(2-phenylethyl)aniline
PubChem CID65486388
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name2-(2-aminoethyl)-5-bromo-N-methyl-N-(2-phenylethyl)aniline
SMILESCN(CCc1ccccc1)c1cc(Br)ccc1CCN
InChIInChI=1S/C17H21BrN2/c1-20(12-10-14-5-3-2-4-6-14)17-13-16(18)8-7-15(17)9-11-19/h2-8,13H,9-12,19H2,1H3
InChIKeyDUFRKXARWBUQNH-UHFFFAOYSA-N
XLogP3.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminoethyl)-5-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 55237548
2-(2-aminoethyl)-5-bromo-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 63783047
4-bromo-N'-hydroxy-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 114904090
5-bromo-2-[methyl(2-phenylethyl)amino]benzenecarbothioamide
CID 114891869
4-bromo-N-methyl-2-nitro-N-(2-phenylethyl)aniline
CID 65488505
2-(2-aminoethyl)-5-bromo-N-(furan-3-ylmethyl)-N-methylaniline
CID 63786210
2-(aminomethyl)-4-chloro-N-methyl-N-(2-phenylethyl)aniline
CID 65485061
2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-5-chloro-N-methylaniline
CID 114861618
2-[2-(aminomethyl)-5-bromo-N-methylanilino]ethanol
CID 60961571
2-(2-aminoethyl)-5-bromo-N-(3,5-dimethylphenyl)-N-methylaniline
CID 63787208
2-(2-aminoethyl)-5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63782936
2-(2-aminoethyl)-5-bromo-N-butyl-N-ethylaniline
CID 63782694

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-bromo-N-methyl-N-(2-phenylethyl)aniline?
The IUPAC name of 2-(2-aminoethyl)-5-bromo-N-methyl-N-(2-phenylethyl)aniline (CID 65486388) is 2-(2-aminoethyl)-5-bromo-N-methyl-N-(2-phenylethyl)aniline.
What is the SMILES notation for 2-(2-aminoethyl)-5-bromo-N-methyl-N-(2-phenylethyl)aniline?
The canonical SMILES for 2-(2-aminoethyl)-5-bromo-N-methyl-N-(2-phenylethyl)aniline is CN(CCc1ccccc1)c1cc(Br)ccc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-5-bromo-N-methyl-N-(2-phenylethyl)aniline?
The InChIKey is DUFRKXARWBUQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-20(12-10-14-5-3-2-4-6-14)17-13-16(18)8-7-15(17)9-11-19/h2-8,13H,9-12,19H2,1H3.
What are the key properties of 2-(2-aminoethyl)-5-bromo-N-methyl-N-(2-phenylethyl)aniline?
2-(2-aminoethyl)-5-bromo-N-methyl-N-(2-phenylethyl)aniline has a molecular weight of 333.27 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5-bromo-N-methyl-N-(2-phenylethyl)aniline is sourced from PubChem (CID 65486388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).