4-(aminomethyl)-2-bromo-N-ethyl-N-[(2-methylphenyl)methyl]aniline

C17H21BrN2 — CID 82793403

IUPAC4-(aminomethyl)-2-bromo-N-ethyl-N-[(2-methylphenyl)methyl]aniline
SMILESCCN(Cc1ccccc1C)c1ccc(CN)cc1Br
InChIInChI=1S/C17H21BrN2/c1-3-20(12-15-7-5-4-6-13(15)2)17-9-8-14(11-19)10-16(17)18/h4-10H,3,11-12,19H2,1-2H3
InChIKeyCHAGPGKDLDYBLO-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.24
Rot. Bonds5

About 4-(aminomethyl)-2-bromo-N-ethyl-N-[(2-methylphenyl)methyl]aniline

4-(aminomethyl)-2-bromo-N-ethyl-N-[(2-methylphenyl)methyl]aniline (PubChem CID 82793403) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 4-(aminomethyl)-2-bromo-N-ethyl-N-[(2-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-(aminomethyl)-2-bromo-N-ethyl-N-[(2-methylphenyl)methyl]aniline
PubChem CID82793403
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name4-(aminomethyl)-2-bromo-N-ethyl-N-[(2-methylphenyl)methyl]aniline
SMILESCCN(Cc1ccccc1C)c1ccc(CN)cc1Br
InChIInChI=1S/C17H21BrN2/c1-3-20(12-15-7-5-4-6-13(15)2)17-9-8-14(11-19)10-16(17)18/h4-10H,3,11-12,19H2,1-2H3
InChIKeyCHAGPGKDLDYBLO-UHFFFAOYSA-N
XLogP4.24
TPSA29.26 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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N,N-dibenzyl-2-bromoaniline
CID 130164745
1-N-ethyl-4-methyl-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 43587740
2-chloro-1-N-ethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 43587745
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-[(2-methylphenyl)methyl]ethanamine
CID 43588378
1-N-ethyl-4-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 43587749
4-(aminomethyl)-2-bromo-N,N-dimethylaniline
CID 82795005
2-bromo-5-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]aniline
CID 115557039
3-bromo-4-[(N-ethyl-2-methylanilino)methyl]aniline
CID 60797264
4-(aminomethyl)-2-bromo-N-butan-2-yl-N-ethylaniline
CID 82793395
4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 60929448
[3-bromo-4-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 102770348
4-(aminomethyl)-2-bromo-N-(4-ethylphenyl)-N-methylaniline
CID 103871280

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-bromo-N-ethyl-N-[(2-methylphenyl)methyl]aniline?
The IUPAC name of 4-(aminomethyl)-2-bromo-N-ethyl-N-[(2-methylphenyl)methyl]aniline (CID 82793403) is 4-(aminomethyl)-2-bromo-N-ethyl-N-[(2-methylphenyl)methyl]aniline.
What is the SMILES notation for 4-(aminomethyl)-2-bromo-N-ethyl-N-[(2-methylphenyl)methyl]aniline?
The canonical SMILES for 4-(aminomethyl)-2-bromo-N-ethyl-N-[(2-methylphenyl)methyl]aniline is CCN(Cc1ccccc1C)c1ccc(CN)cc1Br.
What is the InChIKey of 4-(aminomethyl)-2-bromo-N-ethyl-N-[(2-methylphenyl)methyl]aniline?
The InChIKey is CHAGPGKDLDYBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-3-20(12-15-7-5-4-6-13(15)2)17-9-8-14(11-19)10-16(17)18/h4-10H,3,11-12,19H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2-bromo-N-ethyl-N-[(2-methylphenyl)methyl]aniline?
4-(aminomethyl)-2-bromo-N-ethyl-N-[(2-methylphenyl)methyl]aniline has a molecular weight of 333.27 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-bromo-N-ethyl-N-[(2-methylphenyl)methyl]aniline is sourced from PubChem (CID 82793403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).