N'-[(3,5-dibromophenyl)methyl]-N,N'-dimethylethane-1,2-diamine

C11H16Br2N2 — CID 107972041

IUPACN'-[(3,5-dibromophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1cc(Br)cc(Br)c1
InChIInChI=1S/C11H16Br2N2/c1-14-3-4-15(2)8-9-5-10(12)7-11(13)6-9/h5-7,14H,3-4,8H2,1-2H3
InChIKeyKXDYQXMJFMZPKE-UHFFFAOYSA-N
MW336.07 g/mol
LogP2.86
Rot. Bonds5

About N'-[(3,5-dibromophenyl)methyl]-N,N'-dimethylethane-1,2-diamine

N'-[(3,5-dibromophenyl)methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 107972041) has the molecular formula C11H16Br2N2 and a molecular weight of 336.07 g/mol. Its IUPAC name is N'-[(3,5-dibromophenyl)methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3,5-dibromophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID107972041
Molecular FormulaC11H16Br2N2
Molecular Weight336.07 g/mol
Exact Mass333.97
IUPAC NameN'-[(3,5-dibromophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1cc(Br)cc(Br)c1
InChIInChI=1S/C11H16Br2N2/c1-14-3-4-15(2)8-9-5-10(12)7-11(13)6-9/h5-7,14H,3-4,8H2,1-2H3
InChIKeyKXDYQXMJFMZPKE-UHFFFAOYSA-N
XLogP2.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.07
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,5-dibromophenyl)methyl-methylamino]ethanol
CID 107972037
N'-[(5-bromo-2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374438
N'-[(3-bromo-5-methylphenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 104851463
N'-[(4-bromophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
CID 55069287
N'-[(3-chloro-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
CID 120843633
N'-[(3-bromo-5-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 79706521
N'-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
CID 120843682
N'-[(3-methoxy-5-nitrophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 81154749
N'-[(3-methoxy-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
CID 120843594
3-[(3,5-dibromophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 122046994
N'-[(4-bromo-3-fluorophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 81436013
N,N'-dimethyl-N'-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]ethane-1,2-diamine
CID 145047359

Frequently Asked Questions

What is the IUPAC name of N'-[(3,5-dibromophenyl)methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[(3,5-dibromophenyl)methyl]-N,N'-dimethylethane-1,2-diamine (CID 107972041) is N'-[(3,5-dibromophenyl)methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(3,5-dibromophenyl)methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[(3,5-dibromophenyl)methyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)Cc1cc(Br)cc(Br)c1.
What is the InChIKey of N'-[(3,5-dibromophenyl)methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is KXDYQXMJFMZPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2/c1-14-3-4-15(2)8-9-5-10(12)7-11(13)6-9/h5-7,14H,3-4,8H2,1-2H3.
What are the key properties of N'-[(3,5-dibromophenyl)methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[(3,5-dibromophenyl)methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 336.07 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,5-dibromophenyl)methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 107972041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).