4-(aminomethyl)-N,N-dibenzyl-2-bromoaniline

C21H21BrN2 — CID 130164745

IUPAC4-(aminomethyl)-N,N-dibenzyl-2-bromoaniline
SMILESNCc1ccc(N(Cc2ccccc2)Cc2ccccc2)c(Br)c1
InChIInChI=1S/C21H21BrN2/c22-20-13-19(14-23)11-12-21(20)24(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-13H,14-16,23H2
InChIKeyQJFMJVGFJBMFCP-UHFFFAOYSA-N
MW381.32 g/mol
LogP5.11
Rot. Bonds6

About 4-(aminomethyl)-N,N-dibenzyl-2-bromoaniline

4-(aminomethyl)-N,N-dibenzyl-2-bromoaniline (PubChem CID 130164745) has the molecular formula C21H21BrN2 and a molecular weight of 381.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N,N-dibenzyl-2-bromoaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N,N-dibenzyl-2-bromoaniline
PubChem CID130164745
Molecular FormulaC21H21BrN2
Molecular Weight381.32 g/mol
Exact Mass380.09
IUPAC Name4-(aminomethyl)-N,N-dibenzyl-2-bromoaniline
SMILESNCc1ccc(N(Cc2ccccc2)Cc2ccccc2)c(Br)c1
InChIInChI=1S/C21H21BrN2/c22-20-13-19(14-23)11-12-21(20)24(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-13H,14-16,23H2
InChIKeyQJFMJVGFJBMFCP-UHFFFAOYSA-N
XLogP5.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.32
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-2-bromo-N-ethyl-N-[(2-methylphenyl)methyl]aniline
CID 82793403
4-(aminomethyl)-2-bromo-N,N-dimethylaniline
CID 82795005
4-[2-aminoethyl(benzyl)amino]-3-bromobenzonitrile
CID 106511699
4-[2-aminoethyl(benzyl)amino]-3-bromobenzamide
CID 106511828
4-(aminomethyl)-2-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 82793405
N'-benzyl-N'-(2-bromo-4-nitrophenyl)ethane-1,2-diamine
CID 106511695
N,N-dibenzyl-4-bromo-2,3-dimethylaniline
CID 70557333
4-(aminomethyl)-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 82794707
4-(aminomethyl)-N-benzyl-N,2-dimethylaniline
CID 60929185
[3-[(dibenzylamino)methyl]phenyl]methanamine
CID 39147916
1-[4-[benzyl(ethyl)amino]-3-bromophenyl]ethanol
CID 62909702
4-(aminomethyl)-2-bromo-N-butan-2-yl-N-ethylaniline
CID 82793395

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,N-dibenzyl-2-bromoaniline?
The IUPAC name of 4-(aminomethyl)-N,N-dibenzyl-2-bromoaniline (CID 130164745) is 4-(aminomethyl)-N,N-dibenzyl-2-bromoaniline.
What is the SMILES notation for 4-(aminomethyl)-N,N-dibenzyl-2-bromoaniline?
The canonical SMILES for 4-(aminomethyl)-N,N-dibenzyl-2-bromoaniline is NCc1ccc(N(Cc2ccccc2)Cc2ccccc2)c(Br)c1.
What is the InChIKey of 4-(aminomethyl)-N,N-dibenzyl-2-bromoaniline?
The InChIKey is QJFMJVGFJBMFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2/c22-20-13-19(14-23)11-12-21(20)24(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-13H,14-16,23H2.
What are the key properties of 4-(aminomethyl)-N,N-dibenzyl-2-bromoaniline?
4-(aminomethyl)-N,N-dibenzyl-2-bromoaniline has a molecular weight of 381.32 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,N-dibenzyl-2-bromoaniline is sourced from PubChem (CID 130164745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).