1-N-[1-(3,4-dichlorophenyl)propyl]-2-N,2-N-dimethylpropane-1,2-diamine

C14H22Cl2N2 — CID 54913520

IUPAC1-N-[1-(3,4-dichlorophenyl)propyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCCC(NCC(C)N(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H22Cl2N2/c1-5-14(17-9-10(2)18(3)4)11-6-7-12(15)13(16)8-11/h6-8,10,14,17H,5,9H2,1-4H3
InChIKeyZCKWMSJASWKARQ-UHFFFAOYSA-N
MW289.25 g/mol
LogP3.98
Rot. Bonds6

About 1-N-[1-(3,4-dichlorophenyl)propyl]-2-N,2-N-dimethylpropane-1,2-diamine

1-N-[1-(3,4-dichlorophenyl)propyl]-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 54913520) has the molecular formula C14H22Cl2N2 and a molecular weight of 289.25 g/mol. Its IUPAC name is 1-N-[1-(3,4-dichlorophenyl)propyl]-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(3,4-dichlorophenyl)propyl]-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID54913520
Molecular FormulaC14H22Cl2N2
Molecular Weight289.25 g/mol
Exact Mass288.12
IUPAC Name1-N-[1-(3,4-dichlorophenyl)propyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCCC(NCC(C)N(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H22Cl2N2/c1-5-14(17-9-10(2)18(3)4)11-6-7-12(15)13(16)8-11/h6-8,10,14,17H,5,9H2,1-4H3
InChIKeyZCKWMSJASWKARQ-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-[1-(3,4-dichlorophenyl)propyl]-2-N,2-N-dimethylpropane-1,2-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

3-[1-(3,4-dichlorophenyl)propylamino]-2-methylpropanenitrile
CID 62647103
N-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43754801
4-[1-[2-(dimethylamino)propylamino]propyl]phenol
CID 54913241
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
N-[1-(3,4-dichlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757507
N-[1-(3,4-dichlorophenyl)propyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040767
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
2-[1-(3,4-dichlorophenyl)propylamino]acetamide
CID 43754703
N'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine
CID 60888195
2-[1-(3,4-dichlorophenyl)propylamino]propan-1-ol
CID 43776340
2-[1-(3,4-dichlorophenyl)propylamino]-1-thiophen-3-ylethanol
CID 103785268
N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline
CID 43765753

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(3,4-dichlorophenyl)propyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[1-(3,4-dichlorophenyl)propyl]-2-N,2-N-dimethylpropane-1,2-diamine (CID 54913520) is 1-N-[1-(3,4-dichlorophenyl)propyl]-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[1-(3,4-dichlorophenyl)propyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[1-(3,4-dichlorophenyl)propyl]-2-N,2-N-dimethylpropane-1,2-diamine is CCC(NCC(C)N(C)C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-N-[1-(3,4-dichlorophenyl)propyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is ZCKWMSJASWKARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N2/c1-5-14(17-9-10(2)18(3)4)11-6-7-12(15)13(16)8-11/h6-8,10,14,17H,5,9H2,1-4H3.
What are the key properties of 1-N-[1-(3,4-dichlorophenyl)propyl]-2-N,2-N-dimethylpropane-1,2-diamine?
1-N-[1-(3,4-dichlorophenyl)propyl]-2-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 289.25 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(3,4-dichlorophenyl)propyl]-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 54913520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).