N'-benzyl-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine

C18H23BrN2 — CID 784276

IUPACN'-benzyl-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccccc1)Cc1cccc(Br)c1
InChIInChI=1S/C18H23BrN2/c1-20(2)11-12-21(14-16-7-4-3-5-8-16)15-17-9-6-10-18(19)13-17/h3-10,13H,11-12,14-15H2,1-2H3
InChIKeyQZRIMYYSVCYJKC-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.01
Rot. Bonds7

About N'-benzyl-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine

N'-benzyl-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine (PubChem CID 784276) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is N'-benzyl-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine
PubChem CID784276
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC NameN'-benzyl-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccccc1)Cc1cccc(Br)c1
InChIInChI=1S/C18H23BrN2/c1-20(2)11-12-21(14-16-7-4-3-5-8-16)15-17-9-6-10-18(19)13-17/h3-10,13H,11-12,14-15H2,1-2H3
InChIKeyQZRIMYYSVCYJKC-UHFFFAOYSA-N
XLogP4.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bretylium
CID 2431
1-Benzyl-4-[(4-bromophenyl)carbonothioyl]piperazine
CID 2185493
N,N'-Ethylenebis(N-methylbenzylamine)
CID 66017
N,N-dimethyl-N',N'-dibenzylethylenediamine
CID 129279
1-[(2-Bromophenyl)methyl]-4-methylpiperazine
CID 763870
4-Bromo-N,N-dimethylbenzylamine
CID 235757
Benzenemethanamine, 3-bromo-N-ethyl-
CID 457589
1-[(2-Bromophenyl)methyl]-4-(3-phenylpropyl)piperazine
CID 1529368
1-(2-Bromobenzyl)-4-methyl-1,4-diazepane
CID 754084
4-Benzyl-1-(2-bromobenzyl)piperidine
CID 791158
N-(3-bromobenzyl)-N-(4-fluorobenzyl)amine
CID 834406
1-[(4-Bromophenyl)carbonothioyl]-4-ethylpiperazine
CID 888529

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine (CID 784276) is N'-benzyl-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine is CN(C)CCN(Cc1ccccc1)Cc1cccc(Br)c1.
What is the InChIKey of N'-benzyl-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The InChIKey is QZRIMYYSVCYJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2/c1-20(2)11-12-21(14-16-7-4-3-5-8-16)15-17-9-6-10-18(19)13-17/h3-10,13H,11-12,14-15H2,1-2H3.
What are the key properties of N'-benzyl-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine?
N'-benzyl-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine has a molecular weight of 347.30 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 784276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).