N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N',N'-diethylethane-1,2-diamine;hydrochloride

C17H24Cl2N2O — CID 6603200

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N',N'-diethylethane-1,2-diamine;hydrochloride
SMILESCCN(CC)CCNCc1ccc(-c2ccc(Cl)cc2)o1.Cl
InChIInChI=1S/C17H23ClN2O.ClH/c1-3-20(4-2)12-11-19-13-16-9-10-17(21-16)14-5-7-15(18)8-6-14;/h5-10,19H,3-4,11-13H2,1-2H3;1H
InChIKeyBLOWVVFAZXEVSP-UHFFFAOYSA-N
MW343.30 g/mol
LogP4.45
Rot. Bonds8

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N',N'-diethylethane-1,2-diamine;hydrochloride

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N',N'-diethylethane-1,2-diamine;hydrochloride (PubChem CID 6603200) has the molecular formula C17H24Cl2N2O and a molecular weight of 343.30 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N',N'-diethylethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N',N'-diethylethane-1,2-diamine;hydrochloride
PubChem CID6603200
Molecular FormulaC17H24Cl2N2O
Molecular Weight343.30 g/mol
Exact Mass342.13
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N',N'-diethylethane-1,2-diamine;hydrochloride
SMILESCCN(CC)CCNCc1ccc(-c2ccc(Cl)cc2)o1.Cl
InChIInChI=1S/C17H23ClN2O.ClH/c1-3-20(4-2)12-11-19-13-16-9-10-17(21-16)14-5-7-15(18)8-6-14;/h5-10,19H,3-4,11-13H2,1-2H3;1H
InChIKeyBLOWVVFAZXEVSP-UHFFFAOYSA-N
XLogP4.45
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 54.45
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-(4-chlorophenyl)furan-2-yl]methyl]-N',N'-diethylethane-1,2-diamine;hydrochloride?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N',N'-diethylethane-1,2-diamine;hydrochloride (CID 6603200) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N',N'-diethylethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N',N'-diethylethane-1,2-diamine;hydrochloride?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N',N'-diethylethane-1,2-diamine;hydrochloride is CCN(CC)CCNCc1ccc(-c2ccc(Cl)cc2)o1.Cl.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N',N'-diethylethane-1,2-diamine;hydrochloride?
The InChIKey is BLOWVVFAZXEVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O.ClH/c1-3-20(4-2)12-11-19-13-16-9-10-17(21-16)14-5-7-15(18)8-6-14;/h5-10,19H,3-4,11-13H2,1-2H3;1H.
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N',N'-diethylethane-1,2-diamine;hydrochloride?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N',N'-diethylethane-1,2-diamine;hydrochloride has a molecular weight of 343.30 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N',N'-diethylethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 6603200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).