1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine

C17H23ClN2O — CID 62644722

IUPAC1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine
SMILESCNC(CCN(C)Cc1ccoc1C)c1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O/c1-13-15(9-11-21-13)12-20(3)10-8-17(19-2)14-4-6-16(18)7-5-14/h4-7,9,11,17,19H,8,10,12H2,1-3H3
InChIKeyPPUNEJSSJHDUPY-UHFFFAOYSA-N
MW306.84 g/mol
LogP4.02
Rot. Bonds7

About 1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine

1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine (PubChem CID 62644722) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine
PubChem CID62644722
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine
SMILESCNC(CCN(C)Cc1ccoc1C)c1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O/c1-13-15(9-11-21-13)12-20(3)10-8-17(19-2)14-4-6-16(18)7-5-14/h4-7,9,11,17,19H,8,10,12H2,1-3H3
InChIKeyPPUNEJSSJHDUPY-UHFFFAOYSA-N
XLogP4.02
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-N,N'-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 55099254
1-(4-chlorophenyl)-N,N'-dimethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine
CID 79859395
2-[[3-(4-chlorophenyl)-3-(methylamino)propyl]-methylamino]ethanol
CID 62643807
1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 62643334
N'-(furan-2-ylmethyl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62617370
N'-[(5-chlorothiophen-2-yl)methyl]-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618933
1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 62643562
N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]butane-1,4-diamine
CID 61424069
3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanehydrazide
CID 63578941
N',N'-dimethyl-N-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]ethane-1,2-diamine
CID 55089418
1-(4-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine
CID 62645380
N,N'-dimethyl-1-(4-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62618052

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine (CID 62644722) is 1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine is CNC(CCN(C)Cc1ccoc1C)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine?
The InChIKey is PPUNEJSSJHDUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-13-15(9-11-21-13)12-20(3)10-8-17(19-2)14-4-6-16(18)7-5-14/h4-7,9,11,17,19H,8,10,12H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine?
1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine has a molecular weight of 306.84 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 62644722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).