3-(2,5-dichlorophenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine

C12H18Cl2N2 — CID 79092426

IUPAC3-(2,5-dichlorophenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine
SMILESCNC(Cc1cc(Cl)ccc1Cl)CN(C)C
InChIInChI=1S/C12H18Cl2N2/c1-15-11(8-16(2)3)7-9-6-10(13)4-5-12(9)14/h4-6,11,15H,7-8H2,1-3H3
InChIKeyZHCQQDZWTKEDKT-UHFFFAOYSA-N
MW261.20 g/mol
LogP2.69
Rot. Bonds5

About 3-(2,5-dichlorophenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine

3-(2,5-dichlorophenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine (PubChem CID 79092426) has the molecular formula C12H18Cl2N2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine
PubChem CID79092426
Molecular FormulaC12H18Cl2N2
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name3-(2,5-dichlorophenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine
SMILESCNC(Cc1cc(Cl)ccc1Cl)CN(C)C
InChIInChI=1S/C12H18Cl2N2/c1-15-11(8-16(2)3)7-9-6-10(13)4-5-12(9)14/h4-6,11,15H,7-8H2,1-3H3
InChIKeyZHCQQDZWTKEDKT-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,5-dichlorophenyl)-1-N,1-N,2-N-trimethylpropane-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

1-(2,5-dichlorophenyl)-N-methylpent-4-en-2-amine
CID 116660621
1-(2,5-dichlorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65321733
1-(2,5-dichlorophenyl)-N-methylnonan-2-amine
CID 115863293
1-tert-butylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
CID 65321783
1-(2,5-dichlorophenyl)-4-ethoxy-N-methylbutan-2-amine
CID 105151407
1-butan-2-ylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
CID 65321928
1-(2,5-dichlorophenyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine
CID 102928141
1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine
CID 130557512
1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66052512
1-cyclohexylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
CID 65321248
1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 103048477
3-(2,5-dichlorophenyl)-N,2-dimethylpropan-1-amine
CID 64664114

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine?
The IUPAC name of 3-(2,5-dichlorophenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine (CID 79092426) is 3-(2,5-dichlorophenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine?
The canonical SMILES for 3-(2,5-dichlorophenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine is CNC(Cc1cc(Cl)ccc1Cl)CN(C)C.
What is the InChIKey of 3-(2,5-dichlorophenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine?
The InChIKey is ZHCQQDZWTKEDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2/c1-15-11(8-16(2)3)7-9-6-10(13)4-5-12(9)14/h4-6,11,15H,7-8H2,1-3H3.
What are the key properties of 3-(2,5-dichlorophenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine?
3-(2,5-dichlorophenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine has a molecular weight of 261.20 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine is sourced from PubChem (CID 79092426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).