4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(3-methylphenyl)aniline

C17H21BrN2 — CID 82967869

IUPAC4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(3-methylphenyl)aniline
SMILESCNC(C)c1cc(Br)ccc1N(C)c1cccc(C)c1
InChIInChI=1S/C17H21BrN2/c1-12-6-5-7-15(10-12)20(4)17-9-8-14(18)11-16(17)13(2)19-3/h5-11,13,19H,1-4H3
InChIKeyYJXDMBKWQODCFD-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.81
Rot. Bonds4

About 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(3-methylphenyl)aniline

4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(3-methylphenyl)aniline (PubChem CID 82967869) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(3-methylphenyl)aniline.

Molecular Properties

Compound Name4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(3-methylphenyl)aniline
PubChem CID82967869
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(3-methylphenyl)aniline
SMILESCNC(C)c1cc(Br)ccc1N(C)c1cccc(C)c1
InChIInChI=1S/C17H21BrN2/c1-12-6-5-7-15(10-12)20(4)17-9-8-14(18)11-16(17)13(2)19-3/h5-11,13,19H,1-4H3
InChIKeyYJXDMBKWQODCFD-UHFFFAOYSA-N
XLogP4.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-phenylaniline
CID 82972017
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylphenyl)aniline
CID 82956018
3-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]benzonitrile
CID 82970870
2-bromo-N-(3,5-dimethylphenyl)-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 63533609
4-bromo-N-(1-cyclopropylethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 82972503
1-[4-bromo-2-(3-methylphenyl)sulfanylphenyl]-N-methylethanamine
CID 82969145
4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline
CID 82968195
3-[4-bromo-N-methyl-2-[1-(methylamino)ethyl]anilino]propan-1-ol
CID 114230292
1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-methylethanamine
CID 82975637
4-bromo-N-(cyclopentylmethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 82968938
2-[4-bromo-2-[1-(methylamino)ethyl]-N-propan-2-ylanilino]ethanol
CID 82968844
4-bromo-N-ethyl-2-[1-(methylamino)ethyl]-N-(pyridin-2-ylmethyl)aniline
CID 82953898

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(3-methylphenyl)aniline?
The IUPAC name of 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(3-methylphenyl)aniline (CID 82967869) is 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(3-methylphenyl)aniline.
What is the SMILES notation for 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(3-methylphenyl)aniline?
The canonical SMILES for 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(3-methylphenyl)aniline is CNC(C)c1cc(Br)ccc1N(C)c1cccc(C)c1.
What is the InChIKey of 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(3-methylphenyl)aniline?
The InChIKey is YJXDMBKWQODCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-12-6-5-7-15(10-12)20(4)17-9-8-14(18)11-16(17)13(2)19-3/h5-11,13,19H,1-4H3.
What are the key properties of 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(3-methylphenyl)aniline?
4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(3-methylphenyl)aniline has a molecular weight of 333.27 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(3-methylphenyl)aniline is sourced from PubChem (CID 82967869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).