2-N-[2-(2-chloroanilino)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C15H26ClN3 — CID 103191788

IUPAC2-N-[2-(2-chloroanilino)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CCNc1ccccc1Cl)C(C)CN(C)C
InChIInChI=1S/C15H26ClN3/c1-5-19(13(2)12-18(3)4)11-10-17-15-9-7-6-8-14(15)16/h6-9,13,17H,5,10-12H2,1-4H3
InChIKeyLOUFTXTYHBWVCM-UHFFFAOYSA-N
MW283.85 g/mol
LogP3.02
Rot. Bonds8

About 2-N-[2-(2-chloroanilino)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[2-(2-chloroanilino)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103191788) has the molecular formula C15H26ClN3 and a molecular weight of 283.85 g/mol. Its IUPAC name is 2-N-[2-(2-chloroanilino)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(2-chloroanilino)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103191788
Molecular FormulaC15H26ClN3
Molecular Weight283.85 g/mol
Exact Mass283.18
IUPAC Name2-N-[2-(2-chloroanilino)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CCNc1ccccc1Cl)C(C)CN(C)C
InChIInChI=1S/C15H26ClN3/c1-5-19(13(2)12-18(3)4)11-10-17-15-9-7-6-8-14(15)16/h6-9,13,17H,5,10-12H2,1-4H3
InChIKeyLOUFTXTYHBWVCM-UHFFFAOYSA-N
XLogP3.02
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.85
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2-anilinoethyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189572
N-(2-chlorophenyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 63504287
N'-butan-2-yl-N'-butyl-N-(2-chlorophenyl)ethane-1,2-diamine
CID 55195116
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
N-(2-chlorophenyl)-N'-(2-methoxyethyl)-N'-pentan-3-ylethane-1,2-diamine
CID 63504001
N-(2-bromophenyl)-N'-butan-2-yl-N'-ethylethane-1,2-diamine
CID 62561481
N-(2-chlorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 63866520
N-(2-chlorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62556464
N-(2-chlorophenyl)-N',N'-dioctylpropane-1,3-diamine
CID 175592043
2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(pyridin-3-ylmethylamino)ethyl]propane-1,2-diamine
CID 103191849
N-(2-chlorophenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754729

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2-chloroanilino)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[2-(2-chloroanilino)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103191788) is 2-N-[2-(2-chloroanilino)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(2-chloroanilino)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[2-(2-chloroanilino)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(CCNc1ccccc1Cl)C(C)CN(C)C.
What is the InChIKey of 2-N-[2-(2-chloroanilino)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is LOUFTXTYHBWVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3/c1-5-19(13(2)12-18(3)4)11-10-17-15-9-7-6-8-14(15)16/h6-9,13,17H,5,10-12H2,1-4H3.
What are the key properties of 2-N-[2-(2-chloroanilino)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[2-(2-chloroanilino)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 283.85 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2-chloroanilino)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103191788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).