2-N-(2-anilinoethyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C15H27N3 — CID 103189572

IUPAC2-N-(2-anilinoethyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CCNc1ccccc1)C(C)CN(C)C
InChIInChI=1S/C15H27N3/c1-5-18(14(2)13-17(3)4)12-11-16-15-9-7-6-8-10-15/h6-10,14,16H,5,11-13H2,1-4H3
InChIKeyFFZCJRSZOPIUMN-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.37
Rot. Bonds8

About 2-N-(2-anilinoethyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-(2-anilinoethyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103189572) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-N-(2-anilinoethyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-anilinoethyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103189572
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-N-(2-anilinoethyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CCNc1ccccc1)C(C)CN(C)C
InChIInChI=1S/C15H27N3/c1-5-18(14(2)13-17(3)4)12-11-16-15-9-7-6-8-10-15/h6-10,14,16H,5,11-13H2,1-4H3
InChIKeyFFZCJRSZOPIUMN-UHFFFAOYSA-N
XLogP2.37
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3-anilinopropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191837
2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(3-methylanilino)ethyl]propane-1,2-diamine
CID 103191842
2-N-[2-(2-chloroanilino)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191788
N',N'-bis(2-methylpropyl)-N-phenylethane-1,2-diamine
CID 61378856
N'-(2-anilinoethyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102994521
N'-butan-2-yl-N'-ethyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62561849
N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine
CID 62570612
1-N,1-N,1-N',1-N'-tetraethyl-2-N-phenylethane-1,1,2-triamine
CID 67748631
2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(pyridin-3-ylmethylamino)ethyl]propane-1,2-diamine
CID 103191849
N'-methyl-N-phenyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81055583
N'-methyl-N'-(3-methylbutyl)-N-phenylpropane-1,3-diamine
CID 62563455
ethane;N'-methyl-N,N'-diphenylethane-1,2-diamine
CID 142921032

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-anilinoethyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(2-anilinoethyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103189572) is 2-N-(2-anilinoethyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2-anilinoethyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2-anilinoethyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(CCNc1ccccc1)C(C)CN(C)C.
What is the InChIKey of 2-N-(2-anilinoethyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is FFZCJRSZOPIUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-18(14(2)13-17(3)4)12-11-16-15-9-7-6-8-10-15/h6-10,14,16H,5,11-13H2,1-4H3.
What are the key properties of 2-N-(2-anilinoethyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-(2-anilinoethyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 249.40 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-anilinoethyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103189572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).