N'-[2-(3-chloroanilino)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

C15H26ClN3 — CID 102997769

IUPACN'-[2-(3-chloroanilino)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)CCNc1cccc(Cl)c1
InChIInChI=1S/C15H26ClN3/c1-4-19(11-6-10-18(2)3)12-9-17-15-8-5-7-14(16)13-15/h5,7-8,13,17H,4,6,9-12H2,1-3H3
InChIKeyAXYZMIHQZXFMKQ-UHFFFAOYSA-N
MW283.85 g/mol
LogP3.03
Rot. Bonds9

About N'-[2-(3-chloroanilino)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

N'-[2-(3-chloroanilino)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 102997769) has the molecular formula C15H26ClN3 and a molecular weight of 283.85 g/mol. Its IUPAC name is N'-[2-(3-chloroanilino)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(3-chloroanilino)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID102997769
Molecular FormulaC15H26ClN3
Molecular Weight283.85 g/mol
Exact Mass283.18
IUPAC NameN'-[2-(3-chloroanilino)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)CCNc1cccc(Cl)c1
InChIInChI=1S/C15H26ClN3/c1-4-19(11-6-10-18(2)3)12-9-17-15-8-5-7-14(16)13-15/h5,7-8,13,17H,4,6,9-12H2,1-3H3
InChIKeyAXYZMIHQZXFMKQ-UHFFFAOYSA-N
XLogP3.03
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.85
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-N,N-dimethyl-N'-[2-(3-methylanilino)ethyl]propane-1,3-diamine
CID 102997765
N'-(2-anilinoethyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102994521
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
N-(3-chlorophenyl)-N'-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine
CID 55088823
N'-ethyl-N,N-dimethyl-N'-[2-(2-methylanilino)ethyl]propane-1,3-diamine
CID 102997809
N-(3-chlorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 62560444
N'-ethyl-N-(3-methylphenyl)-N'-propylethane-1,2-diamine
CID 62575820
N'-[2-(3-chloroanilino)ethyl]-N,N'-bis(2-chloroethyl)ethane-1,2-diamine
CID 178074870
1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea
CID 110446856
N-(3-chloro-4-methoxyphenyl)-N'-ethyl-N'-heptylethane-1,2-diamine
CID 19855895
N-(3-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81067875
3-[3-(diethylamino)propylamino]phenol
CID 83813650

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-chloroanilino)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-(3-chloroanilino)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 102997769) is N'-[2-(3-chloroanilino)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(3-chloroanilino)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(3-chloroanilino)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)CCNc1cccc(Cl)c1.
What is the InChIKey of N'-[2-(3-chloroanilino)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is AXYZMIHQZXFMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3/c1-4-19(11-6-10-18(2)3)12-9-17-15-8-5-7-14(16)13-15/h5,7-8,13,17H,4,6,9-12H2,1-3H3.
What are the key properties of N'-[2-(3-chloroanilino)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-[2-(3-chloroanilino)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 283.85 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-chloroanilino)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102997769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).