N'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine

C12H18Cl2N2 — CID 60888195

IUPACN'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine
SMILESCCC(NCCCN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H18Cl2N2/c1-2-12(16-7-3-6-15)9-4-5-10(13)11(14)8-9/h4-5,8,12,16H,2-3,6-7,15H2,1H3
InChIKeyVUNUPBHNYAZUHC-UHFFFAOYSA-N
MW261.20 g/mol
LogP3.38
Rot. Bonds6

About N'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine

N'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine (PubChem CID 60888195) has the molecular formula C12H18Cl2N2 and a molecular weight of 261.20 g/mol. Its IUPAC name is N'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine
PubChem CID60888195
Molecular FormulaC12H18Cl2N2
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC NameN'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine
SMILESCCC(NCCCN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H18Cl2N2/c1-2-12(16-7-3-6-15)9-4-5-10(13)11(14)8-9/h4-5,8,12,16H,2-3,6-7,15H2,1H3
InChIKeyVUNUPBHNYAZUHC-UHFFFAOYSA-N
XLogP3.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

4-[1-(3,4-dichlorophenyl)propylamino]butanamide
CID 60863213
N-[1-(3,4-dichlorophenyl)propyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040767
N-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43754801
N-[1-(3,4-dichlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757507
N'-(1-phenylpropyl)propane-1,3-diamine
CID 60889497
1-(3,4-dichlorophenyl)-N-[2-(2-fluorophenyl)ethyl]propan-1-amine
CID 43760641
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
2-[1-(3,4-dichlorophenyl)propylamino]acetamide
CID 43754703
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
5-[[2-amino-1-(3,4-dichlorophenyl)ethyl]amino]pentan-1-ol
CID 107316920
N-[1-(3,4-dichlorophenyl)propyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106289930
1-N-[1-(3,4-dichlorophenyl)propyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913520

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine?
The IUPAC name of N'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine (CID 60888195) is N'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine?
The canonical SMILES for N'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine is CCC(NCCCN)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine?
The InChIKey is VUNUPBHNYAZUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2/c1-2-12(16-7-3-6-15)9-4-5-10(13)11(14)8-9/h4-5,8,12,16H,2-3,6-7,15H2,1H3.
What are the key properties of N'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine?
N'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine has a molecular weight of 261.20 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine is sourced from PubChem (CID 60888195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).