N-[(3,5-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine

C12H18Cl2N2 — CID 60788789

IUPACN-[(3,5-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H18Cl2N2/c1-16(2)5-3-4-15-9-10-6-11(13)8-12(14)7-10/h6-8,15H,3-5,9H2,1-2H3
InChIKeyLVJPBNQABMLZMZ-UHFFFAOYSA-N
MW261.20 g/mol
LogP3.03
Rot. Bonds6

About N-[(3,5-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine

N-[(3,5-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 60788789) has the molecular formula C12H18Cl2N2 and a molecular weight of 261.20 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID60788789
Molecular FormulaC12H18Cl2N2
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H18Cl2N2/c1-16(2)5-3-4-15-9-10-6-11(13)8-12(14)7-10/h6-8,15H,3-5,9H2,1-2H3
InChIKeyLVJPBNQABMLZMZ-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 53.03
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-chloro-5-fluorophenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 114452806
N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17294130
2-[(3,5-dichlorophenyl)methylamino]ethanol
CID 60788804
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 4718954
N-[(3,5-dichlorophenyl)methyl]-5-methylhexan-1-amine
CID 113287343
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 17159816
N'-[(3,5-dichlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 91353491
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43217153
N',N'-dimethyl-N-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 114820562
N-[(2,5-dichlorothiophen-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 107961596
N-[(5-bromo-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 115778146
N-[(4-aminophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 82672398

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine (CID 60788789) is N-[(3,5-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is LVJPBNQABMLZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2/c1-16(2)5-3-4-15-9-10-6-11(13)8-12(14)7-10/h6-8,15H,3-5,9H2,1-2H3.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine?
N-[(3,5-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 261.20 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 60788789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).