N-(4-bromophenyl)-N'-ethyl-N'-(2-methylphenyl)ethane-1,2-diamine

C17H21BrN2 — CID 63503202

IUPACN-(4-bromophenyl)-N'-ethyl-N'-(2-methylphenyl)ethane-1,2-diamine
SMILESCCN(CCNc1ccc(Br)cc1)c1ccccc1C
InChIInChI=1S/C17H21BrN2/c1-3-20(17-7-5-4-6-14(17)2)13-12-19-16-10-8-15(18)9-11-16/h4-11,19H,3,12-13H2,1-2H3
InChIKeyBZNSRGVOXBJOFB-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.70
Rot. Bonds6

About N-(4-bromophenyl)-N'-ethyl-N'-(2-methylphenyl)ethane-1,2-diamine

N-(4-bromophenyl)-N'-ethyl-N'-(2-methylphenyl)ethane-1,2-diamine (PubChem CID 63503202) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-N'-ethyl-N'-(2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-bromophenyl)-N'-ethyl-N'-(2-methylphenyl)ethane-1,2-diamine
PubChem CID63503202
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC NameN-(4-bromophenyl)-N'-ethyl-N'-(2-methylphenyl)ethane-1,2-diamine
SMILESCCN(CCNc1ccc(Br)cc1)c1ccccc1C
InChIInChI=1S/C17H21BrN2/c1-3-20(17-7-5-4-6-14(17)2)13-12-19-16-10-8-15(18)9-11-16/h4-11,19H,3,12-13H2,1-2H3
InChIKeyBZNSRGVOXBJOFB-UHFFFAOYSA-N
XLogP4.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-N'-(2-methylphenyl)-N-phenylpropane-1,3-diamine
CID 63503025
N'-ethyl-N-(3-fluorophenyl)-N'-(2-methylphenyl)ethane-1,2-diamine
CID 63503875
N'-ethyl-N'-(2-methylphenyl)-N-pyrimidin-2-ylethane-1,2-diamine
CID 75415758
N'-ethyl-N'-(2-methylphenyl)-N-propylethane-1,2-diamine
CID 61386867
N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2-methylphenyl)ethane-1,2-diamine
CID 62573232
N'-ethyl-N'-(2-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 60843081
N-(4-bromophenyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 63502577
N-(3-bromophenyl)-N'-ethyl-N'-(2-fluorophenyl)ethane-1,2-diamine
CID 63502362
N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)ethane-1,2-diamine
CID 62575841
N'-benzyl-N-(4-bromophenyl)-N'-ethylethane-1,2-diamine
CID 63502514
N-[2-(N-ethyl-2-methylanilino)ethyl]-4,4-dimethylpent-2-enamide
CID 72689859
N'-ethyl-N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62574145

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N'-ethyl-N'-(2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(4-bromophenyl)-N'-ethyl-N'-(2-methylphenyl)ethane-1,2-diamine (CID 63503202) is N-(4-bromophenyl)-N'-ethyl-N'-(2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-bromophenyl)-N'-ethyl-N'-(2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(4-bromophenyl)-N'-ethyl-N'-(2-methylphenyl)ethane-1,2-diamine is CCN(CCNc1ccc(Br)cc1)c1ccccc1C.
What is the InChIKey of N-(4-bromophenyl)-N'-ethyl-N'-(2-methylphenyl)ethane-1,2-diamine?
The InChIKey is BZNSRGVOXBJOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-3-20(17-7-5-4-6-14(17)2)13-12-19-16-10-8-15(18)9-11-16/h4-11,19H,3,12-13H2,1-2H3.
What are the key properties of N-(4-bromophenyl)-N'-ethyl-N'-(2-methylphenyl)ethane-1,2-diamine?
N-(4-bromophenyl)-N'-ethyl-N'-(2-methylphenyl)ethane-1,2-diamine has a molecular weight of 333.27 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N'-ethyl-N'-(2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 63503202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).