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

C13H20Cl2N2 — CID 4719880

IUPACN-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H20Cl2N2/c1-3-17(4-2)8-7-16-10-11-5-6-12(14)13(15)9-11/h5-6,9,16H,3-4,7-8,10H2,1-2H3
InChIKeyNNLSWOKOLBTIRH-UHFFFAOYSA-N
MW275.22 g/mol
LogP3.42
Rot. Bonds7

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

N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 4719880) has the molecular formula C13H20Cl2N2 and a molecular weight of 275.22 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
PubChem CID4719880
Molecular FormulaC13H20Cl2N2
Molecular Weight275.22 g/mol
Exact Mass274.10
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H20Cl2N2/c1-3-17(4-2)8-7-16-10-11-5-6-12(14)13(15)9-11/h5-6,9,16H,3-4,7-8,10H2,1-2H3
InChIKeyNNLSWOKOLBTIRH-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 53.42
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'-diethylethane-1,2-diamine;dihydrochloride
CID 17294365
N',N'-dibutyl-N-[(3,4-dichlorophenyl)methyl]ethane-1,2-diamine
CID 135305476
N-[(3-bromo-4-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 83235269
N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 5222337
2-chloro-4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenol
CID 113247970
N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17294130
N'-[(3,4-dichlorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine
CID 2058180
N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine;oxalic acid
CID 163327159
N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17159636
N'-[(3,4-dichlorophenyl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215667
N-[(3,5-dichloro-4-propoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 29241424
N',N'-diethyl-N-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17331877

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine (CID 4719880) is N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is NNLSWOKOLBTIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2/c1-3-17(4-2)8-7-16-10-11-5-6-12(14)13(15)9-11/h5-6,9,16H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine?
N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 275.22 g/mol, XLogP of 3.42, 7 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'-diethylethane-1,2-diamine is sourced from PubChem (CID 4719880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).