N-(2,4-dichlorophenyl)-N',N'-diethylpropane-1,3-diamine

C13H20Cl2N2 — CID 57223058

IUPACN-(2,4-dichlorophenyl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H20Cl2N2/c1-3-17(4-2)9-5-8-16-13-7-6-11(14)10-12(13)15/h6-7,10,16H,3-5,8-9H2,1-2H3
InChIKeyOZKGWMXQDJCFAN-UHFFFAOYSA-N
MW275.22 g/mol
LogP4.14
Rot. Bonds7

About N-(2,4-dichlorophenyl)-N',N'-diethylpropane-1,3-diamine

N-(2,4-dichlorophenyl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 57223058) has the molecular formula C13H20Cl2N2 and a molecular weight of 275.22 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-N',N'-diethylpropane-1,3-diamine
PubChem CID57223058
Molecular FormulaC13H20Cl2N2
Molecular Weight275.22 g/mol
Exact Mass274.10
IUPAC NameN-(2,4-dichlorophenyl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H20Cl2N2/c1-3-17(4-2)9-5-8-16-13-7-6-11(14)10-12(13)15/h6-7,10,16H,3-5,8-9H2,1-2H3
InChIKeyOZKGWMXQDJCFAN-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
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

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1-N-[3-(diethylamino)propyl]-2-fluorobenzene-1,4-diamine
CID 28972669
N-(5-bromopentyl)-2,4-dichloroaniline
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CID 83155981
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CID 4572948
2-[butyl(ethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 78821204
2,5-dichloro-N-[3-(diethylamino)propyl]benzamide
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4-[3-(diethylamino)propylamino]-3-fluorobenzonitrile
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2-chloro-6-[3-(diethylamino)propylamino]benzenecarbothioamide
CID 62501763

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-(2,4-dichlorophenyl)-N',N'-diethylpropane-1,3-diamine (CID 57223058) is N-(2,4-dichlorophenyl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-(2,4-dichlorophenyl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-(2,4-dichlorophenyl)-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is OZKGWMXQDJCFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2/c1-3-17(4-2)9-5-8-16-13-7-6-11(14)10-12(13)15/h6-7,10,16H,3-5,8-9H2,1-2H3.
What are the key properties of N-(2,4-dichlorophenyl)-N',N'-diethylpropane-1,3-diamine?
N-(2,4-dichlorophenyl)-N',N'-diethylpropane-1,3-diamine has a molecular weight of 275.22 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 57223058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).