N-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine

C11H16Cl2N2 — CID 54806248

IUPACN-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2/c1-8(2)14-5-6-15-11-4-3-9(12)7-10(11)13/h3-4,7-8,14-15H,5-6H2,1-2H3
InChIKeyHKPHQNXGMNTTEH-UHFFFAOYSA-N
MW247.17 g/mol
LogP3.40
Rot. Bonds5

About N-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine

N-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 54806248) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID54806248
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC NameN-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2/c1-8(2)14-5-6-15-11-4-3-9(12)7-10(11)13/h3-4,7-8,14-15H,5-6H2,1-2H3
InChIKeyHKPHQNXGMNTTEH-UHFFFAOYSA-N
XLogP3.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-(4-methylpentyl)aniline
CID 83155981
N'-(2,4-dichlorophenyl)-N-phenylethane-1,2-diamine
CID 54806465
N-(3-chloro-4-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54809625
2,4-dichloro-N-decylaniline
CID 63489638
N-(2,3-dichlorophenyl)-N'-(2,4-dichlorophenyl)ethane-1,2-diamine
CID 54806246
N-(2,5-difluorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206228
2,4-dichloro-N-(2-ethylbutyl)aniline
CID 28521288
N'-(2,4-dichlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
CID 54806172
3-(2,5-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830945
N-(5-bromopentyl)-2,4-dichloroaniline
CID 10804944
N-(2,4-dichlorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 57223058
2,4-dichloro-N-(2-piperidin-1-ylethyl)aniline
CID 54806085

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine (CID 54806248) is N-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine is CC(C)NCCNc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is HKPHQNXGMNTTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2/c1-8(2)14-5-6-15-11-4-3-9(12)7-10(11)13/h3-4,7-8,14-15H,5-6H2,1-2H3.
What are the key properties of N-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine?
N-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 247.17 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 54806248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).