N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride

C12H20Cl4N2 — CID 17294130

IUPACN-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
SMILESCN(C)CCCNCc1ccc(Cl)c(Cl)c1.Cl.Cl
InChIInChI=1S/C12H18Cl2N2.2ClH/c1-16(2)7-3-6-15-9-10-4-5-11(13)12(14)8-10;;/h4-5,8,15H,3,6-7,9H2,1-2H3;2*1H
InChIKeySAENBWBLTDSZOX-UHFFFAOYSA-N
MW334.12 g/mol
LogP3.88
Rot. Bonds6

About N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride

N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride (PubChem CID 17294130) has the molecular formula C12H20Cl4N2 and a molecular weight of 334.12 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
PubChem CID17294130
Molecular FormulaC12H20Cl4N2
Molecular Weight334.12 g/mol
Exact Mass332.04
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
SMILESCN(C)CCCNCc1ccc(Cl)c(Cl)c1.Cl.Cl
InChIInChI=1S/C12H18Cl2N2.2ClH/c1-16(2)7-3-6-15-9-10-4-5-11(13)12(14)8-10;;/h4-5,8,15H,3,6-7,9H2,1-2H3;2*1H
InChIKeySAENBWBLTDSZOX-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.12
LogP ≤ 53.88
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
CID 5222337
N'-[(3,4-dichlorophenyl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215667
N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine;oxalic acid
CID 163327159
N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17294365
N-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17056886
2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]ethanol
CID 17214269
N'-[(3,4-dichlorophenyl)methyl]propane-1,3-diamine
CID 18353717
N-[(3,5-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 60788789
N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 4719880
N',N'-dibutyl-N-[(3,4-dichlorophenyl)methyl]ethane-1,2-diamine
CID 135305476
6-chloro-N-[(3,4-dichlorophenyl)methyl]hexan-1-amine
CID 107845960
2-[3-[(3,4-dichlorophenyl)methylamino]propyl-ethoxyamino]ethanol
CID 174912165

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride (CID 17294130) is N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride is CN(C)CCCNCc1ccc(Cl)c(Cl)c1.Cl.Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride?
The InChIKey is SAENBWBLTDSZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2.2ClH/c1-16(2)7-3-6-15-9-10-4-5-11(13)12(14)8-10;;/h4-5,8,15H,3,6-7,9H2,1-2H3;2*1H.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride?
N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride has a molecular weight of 334.12 g/mol, XLogP of 3.88, 6 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'-dimethylpropane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 17294130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).