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

C10H14Cl2N2 — CID 18353717

IUPACN'-[(3,4-dichlorophenyl)methyl]propane-1,3-diamine
SMILESNCCCNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2/c11-9-3-2-8(6-10(9)12)7-14-5-1-4-13/h2-3,6,14H,1,4-5,7,13H2
InChIKeyVZFQZLMHBJTQLK-UHFFFAOYSA-N
MW233.14 g/mol
LogP2.43
Rot. Bonds5

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

N'-[(3,4-dichlorophenyl)methyl]propane-1,3-diamine (PubChem CID 18353717) has the molecular formula C10H14Cl2N2 and a molecular weight of 233.14 g/mol. Its IUPAC name is N'-[(3,4-dichlorophenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(3,4-dichlorophenyl)methyl]propane-1,3-diamine
PubChem CID18353717
Molecular FormulaC10H14Cl2N2
Molecular Weight233.14 g/mol
Exact Mass232.05
IUPAC NameN'-[(3,4-dichlorophenyl)methyl]propane-1,3-diamine
SMILESNCCCNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2/c11-9-3-2-8(6-10(9)12)7-14-5-1-4-13/h2-3,6,14H,1,4-5,7,13H2
InChIKeyVZFQZLMHBJTQLK-UHFFFAOYSA-N
XLogP2.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[(3,4-dichlorophenyl)methyl]hexan-1-amine
CID 107845960
N'-[[4-[(3-aminopropylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 10106170
N'-[(2-chloro-4-pyridinyl)methyl]propane-1,3-diamine
CID 21271634
2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]ethanol
CID 17214269
N'-[(3,4-dichlorophenyl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215667
N-[(3,4-dichlorophenyl)methyl]hex-5-yn-1-amine
CID 115694162
N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17294130
N-[(3,4-dichlorophenyl)methyl]-3-ethoxypropan-1-amine
CID 4719417
N'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride
CID 86584506
3-butoxy-N-[(3,4-dichlorophenyl)methyl]propan-1-amine
CID 17207813
N-[(3,4-dichlorophenyl)methyl]-3-methylbutan-1-amine
CID 17206875
N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 5222337

Frequently Asked Questions

What is the IUPAC name of N'-[(3,4-dichlorophenyl)methyl]propane-1,3-diamine?
The IUPAC name of N'-[(3,4-dichlorophenyl)methyl]propane-1,3-diamine (CID 18353717) is N'-[(3,4-dichlorophenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-[(3,4-dichlorophenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-[(3,4-dichlorophenyl)methyl]propane-1,3-diamine is NCCCNCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N'-[(3,4-dichlorophenyl)methyl]propane-1,3-diamine?
The InChIKey is VZFQZLMHBJTQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2/c11-9-3-2-8(6-10(9)12)7-14-5-1-4-13/h2-3,6,14H,1,4-5,7,13H2.
What are the key properties of N'-[(3,4-dichlorophenyl)methyl]propane-1,3-diamine?
N'-[(3,4-dichlorophenyl)methyl]propane-1,3-diamine has a molecular weight of 233.14 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,4-dichlorophenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 18353717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).