2-N-(2,4-dichlorophenyl)propane-1,2-diamine

C9H12Cl2N2 — CID 103387065

IUPAC2-N-(2,4-dichlorophenyl)propane-1,2-diamine
SMILESCC(CN)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H12Cl2N2/c1-6(5-12)13-9-3-2-7(10)4-8(9)11/h2-4,6,13H,5,12H2,1H3
InChIKeyCLJGAMMUKJREJK-UHFFFAOYSA-N
MW219.12 g/mol
LogP2.75
Rot. Bonds3

About 2-N-(2,4-dichlorophenyl)propane-1,2-diamine

2-N-(2,4-dichlorophenyl)propane-1,2-diamine (PubChem CID 103387065) has the molecular formula C9H12Cl2N2 and a molecular weight of 219.12 g/mol. Its IUPAC name is 2-N-(2,4-dichlorophenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,4-dichlorophenyl)propane-1,2-diamine
PubChem CID103387065
Molecular FormulaC9H12Cl2N2
Molecular Weight219.12 g/mol
Exact Mass218.04
IUPAC Name2-N-(2,4-dichlorophenyl)propane-1,2-diamine
SMILESCC(CN)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H12Cl2N2/c1-6(5-12)13-9-3-2-7(10)4-8(9)11/h2-4,6,13H,5,12H2,1H3
InChIKeyCLJGAMMUKJREJK-UHFFFAOYSA-N
XLogP2.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.12
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Chlorophenyl)piperazine
CID 1355
1-(2,3-Dichlorophenyl)piperazine
CID 851833
4-Chloro-N-methylbenzenamine
CID 70272
1-(3-Chlorophenyl)piperazine monohydrochloride
CID 25681
1-(4-Chlorophenyl)piperazine
CID 97478
1-(2-Chlorophenyl)piperazine
CID 415628
1-(3-Chlorophenyl)piperazine dihydrochloride
CID 11957487
1-(4-Chlorophenyl)-2-methylpiperazine
CID 98289
1-(3,5-Dichlorophenyl)piperazine
CID 2736067
N-(4-chlorophenyl)-1-ethyl-4-piperidinamine
CID 868366
N-(2,4-dichlorophenyl)-4-methylpiperazine-1-carbothioamide
CID 881854
Benzenamine, 2-chloro-N-methyl-
CID 136736

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dichlorophenyl)propane-1,2-diamine?
The IUPAC name of 2-N-(2,4-dichlorophenyl)propane-1,2-diamine (CID 103387065) is 2-N-(2,4-dichlorophenyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(2,4-dichlorophenyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(2,4-dichlorophenyl)propane-1,2-diamine is CC(CN)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-N-(2,4-dichlorophenyl)propane-1,2-diamine?
The InChIKey is CLJGAMMUKJREJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2/c1-6(5-12)13-9-3-2-7(10)4-8(9)11/h2-4,6,13H,5,12H2,1H3.
What are the key properties of 2-N-(2,4-dichlorophenyl)propane-1,2-diamine?
2-N-(2,4-dichlorophenyl)propane-1,2-diamine has a molecular weight of 219.12 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-dichlorophenyl)propane-1,2-diamine is sourced from PubChem (CID 103387065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).