N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine

C16H20Cl2N2O — CID 4725311

IUPACN-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCc1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C16H20Cl2N2O/c1-20(2)9-3-8-19-11-13-5-7-16(21-13)14-6-4-12(17)10-15(14)18/h4-7,10,19H,3,8-9,11H2,1-2H3
InChIKeyREGGAOJEQONVIJ-UHFFFAOYSA-N
MW327.26 g/mol
LogP4.29
Rot. Bonds7

About N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine

N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 4725311) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.26 g/mol. Its IUPAC name is N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID4725311
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.26 g/mol
Exact Mass326.10
IUPAC NameN-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCc1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C16H20Cl2N2O/c1-20(2)9-3-8-19-11-13-5-7-16(21-13)14-6-4-12(17)10-15(14)18/h4-7,10,19H,3,8-9,11H2,1-2H3
InChIKeyREGGAOJEQONVIJ-UHFFFAOYSA-N
XLogP4.29
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine (CID 4725311) is N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNCc1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is REGGAOJEQONVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c1-20(2)9-3-8-19-11-13-5-7-16(21-13)14-6-4-12(17)10-15(14)18/h4-7,10,19H,3,8-9,11H2,1-2H3.
What are the key properties of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine?
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 327.26 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 4725311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).