N'-[2-(2-bromophenyl)ethyl]-N-ethyl-N'-methylethane-1,2-diamine

C13H21BrN2 — CID 115206136

IUPACN'-[2-(2-bromophenyl)ethyl]-N-ethyl-N'-methylethane-1,2-diamine
SMILESCCNCCN(C)CCc1ccccc1Br
InChIInChI=1S/C13H21BrN2/c1-3-15-9-11-16(2)10-8-12-6-4-5-7-13(12)14/h4-7,15H,3,8-11H2,1-2H3
InChIKeyRLJRUJCWBCWKAL-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.53
Rot. Bonds7

About N'-[2-(2-bromophenyl)ethyl]-N-ethyl-N'-methylethane-1,2-diamine

N'-[2-(2-bromophenyl)ethyl]-N-ethyl-N'-methylethane-1,2-diamine (PubChem CID 115206136) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is N'-[2-(2-bromophenyl)ethyl]-N-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2-bromophenyl)ethyl]-N-ethyl-N'-methylethane-1,2-diamine
PubChem CID115206136
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC NameN'-[2-(2-bromophenyl)ethyl]-N-ethyl-N'-methylethane-1,2-diamine
SMILESCCNCCN(C)CCc1ccccc1Br
InChIInChI=1S/C13H21BrN2/c1-3-15-9-11-16(2)10-8-12-6-4-5-7-13(12)14/h4-7,15H,3,8-11H2,1-2H3
InChIKeyRLJRUJCWBCWKAL-UHFFFAOYSA-N
XLogP2.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2-bromophenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 115207157
N'-[(2-bromophenyl)methyl]-N-butyl-N'-methylethane-1,2-diamine
CID 62556809
1-[2-(2-bromophenyl)ethyl-methylamino]propan-2-one
CID 115235229
N'-[2-(2-bromophenyl)ethyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252622
N-[2-(2-bromophenyl)ethyl]-N-methylpropan-2-amine
CID 117044248
N'-[(2-bromophenyl)methyl]-N-(4-ethoxybutyl)-N'-methylethane-1,2-diamine
CID 62558202
N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-(2-methylpropyl)ethane-1,2-diamine
CID 113409285
4-[[2-(2-bromophenyl)ethyl-methylamino]methyl]-N-methylcyclohexan-1-amine
CID 115213756
N-ethyl-N'-methyl-N'-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]ethane-1,2-diamine
CID 115206131
N-[(2-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide
CID 54972142
2-N-[2-(2-bromophenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 117040195
2-(2-bromophenyl)-N-methylethanamine
CID 11964124

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromophenyl)ethyl]-N-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[2-(2-bromophenyl)ethyl]-N-ethyl-N'-methylethane-1,2-diamine (CID 115206136) is N'-[2-(2-bromophenyl)ethyl]-N-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2-bromophenyl)ethyl]-N-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[2-(2-bromophenyl)ethyl]-N-ethyl-N'-methylethane-1,2-diamine is CCNCCN(C)CCc1ccccc1Br.
What is the InChIKey of N'-[2-(2-bromophenyl)ethyl]-N-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is RLJRUJCWBCWKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-3-15-9-11-16(2)10-8-12-6-4-5-7-13(12)14/h4-7,15H,3,8-11H2,1-2H3.
What are the key properties of N'-[2-(2-bromophenyl)ethyl]-N-ethyl-N'-methylethane-1,2-diamine?
N'-[2-(2-bromophenyl)ethyl]-N-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 285.23 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromophenyl)ethyl]-N-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 115206136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).