N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine

C11H16Cl2N2 — CID 5222337

IUPACN-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H16Cl2N2/c1-15(2)6-5-14-8-9-3-4-10(12)11(13)7-9/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyNYSHFAAKOUWIBE-UHFFFAOYSA-N
MW247.17 g/mol
LogP2.64
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine

N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 5222337) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID5222337
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H16Cl2N2/c1-15(2)6-5-14-8-9-3-4-10(12)11(13)7-9/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyNYSHFAAKOUWIBE-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 52.64
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-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine;oxalic acid
CID 163327159
N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17294130
N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 4719880
N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17294365
N',N'-dibutyl-N-[(3,4-dichlorophenyl)methyl]ethane-1,2-diamine
CID 135305476
N-[(3,4-dichlorophenyl)methyl]-3-methylbutan-1-amine
CID 17206875
4-[[2-(dimethylamino)ethylamino]methyl]benzene-1,2-diol
CID 4663866
N'-[(3,4-dichlorophenyl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215667
N-[(4-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 3576210
N-[(2,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 4720305
N'-[(3,4-dichlorophenyl)methyl]propane-1,3-diamine
CID 18353717
N-[(3,4-dichlorophenyl)methyl]-2-ethylsulfonylethanamine
CID 103643069

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine (CID 5222337) is N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is NYSHFAAKOUWIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2/c1-15(2)6-5-14-8-9-3-4-10(12)11(13)7-9/h3-4,7,14H,5-6,8H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 247.17 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 5222337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).