N-[(2-bromo-4-chlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine

C11H16BrClN2 — CID 81495683

IUPACN-[(2-bromo-4-chlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1ccc(Cl)cc1Br
InChIInChI=1S/C11H16BrClN2/c1-15(2)6-5-14-8-9-3-4-10(13)7-11(9)12/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyFULHLPMUARGOIO-UHFFFAOYSA-N
MW291.62 g/mol
LogP2.75
Rot. Bonds5

About N-[(2-bromo-4-chlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine

N-[(2-bromo-4-chlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 81495683) has the molecular formula C11H16BrClN2 and a molecular weight of 291.62 g/mol. Its IUPAC name is N-[(2-bromo-4-chlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2-bromo-4-chlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID81495683
Molecular FormulaC11H16BrClN2
Molecular Weight291.62 g/mol
Exact Mass290.02
IUPAC NameN-[(2-bromo-4-chlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1ccc(Cl)cc1Br
InChIInChI=1S/C11H16BrClN2/c1-15(2)6-5-14-8-9-3-4-10(13)7-11(9)12/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyFULHLPMUARGOIO-UHFFFAOYSA-N
XLogP2.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.62
LogP ≤ 52.75
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-[(2,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 4720305
N-[(2-bromo-4-chlorophenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 114139769
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013
3-N-[(2-bromo-4-chlorophenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 81497506
N-[(2-bromo-4-chlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115742344
N'-[(2-bromo-4-chlorophenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 107987659
1-N-[(2-bromo-4-chlorophenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 81494425
(2S)-4-[(2-bromo-4-chlorophenyl)methylamino]butan-2-ol
CID 97357963
N-[(2-bromo-4-chlorophenyl)methyl]-5-methylhexan-1-amine
CID 115324662
6-[(2-bromo-4-chlorophenyl)methylamino]hexan-1-ol
CID 103924152
2-[2-[(2-bromo-4-chlorophenyl)methylamino]ethoxy]ethanol
CID 81496345
N-[[3-[(E)-2-(2-bromo-4-chlorophenyl)ethenyl]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 145271670

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-chlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[(2-bromo-4-chlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine (CID 81495683) is N-[(2-bromo-4-chlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[(2-bromo-4-chlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[(2-bromo-4-chlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNCc1ccc(Cl)cc1Br.
What is the InChIKey of N-[(2-bromo-4-chlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is FULHLPMUARGOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2/c1-15(2)6-5-14-8-9-3-4-10(13)7-11(9)12/h3-4,7,14H,5-6,8H2,1-2H3.
What are the key properties of N-[(2-bromo-4-chlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
N-[(2-bromo-4-chlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 291.62 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-chlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 81495683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).