N'-ethyl-N'-(2-ethylphenyl)propane-1,3-diamine

C13H22N2 — CID 28772957

IUPACN'-ethyl-N'-(2-ethylphenyl)propane-1,3-diamine
SMILESCCc1ccccc1N(CC)CCCN
InChIInChI=1S/C13H22N2/c1-3-12-8-5-6-9-13(12)15(4-2)11-7-10-14/h5-6,8-9H,3-4,7,10-11,14H2,1-2H3
InChIKeyIBJDDSMXBSXEPL-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.42
Rot. Bonds6

About N'-ethyl-N'-(2-ethylphenyl)propane-1,3-diamine

N'-ethyl-N'-(2-ethylphenyl)propane-1,3-diamine (PubChem CID 28772957) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N'-ethyl-N'-(2-ethylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-ethylphenyl)propane-1,3-diamine
PubChem CID28772957
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN'-ethyl-N'-(2-ethylphenyl)propane-1,3-diamine
SMILESCCc1ccccc1N(CC)CCCN
InChIInChI=1S/C13H22N2/c1-3-12-8-5-6-9-13(12)15(4-2)11-7-10-14/h5-6,8-9H,3-4,7,10-11,14H2,1-2H3
InChIKeyIBJDDSMXBSXEPL-UHFFFAOYSA-N
XLogP2.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminoethyl)-N-ethyl-N-propylaniline
CID 63782884
N'-ethyl-N'-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 62313462
N'-(2,3-dimethylphenyl)-N'-ethylpropane-1,3-diamine
CID 28772955
N'-(2-ethylphenyl)-N'-methylethane-1,2-diamine
CID 28772630
N,2-diethyl-N-(methoxymethyl)aniline
CID 174267548
2-(2-aminobutyl)-N-butyl-N-ethylaniline
CID 63785761
2-[2-ethyl-N-(2-hydroxyethyl)anilino]ethanol
CID 21391330
N'-(2,6-difluorophenyl)-N'-ethylpropane-1,3-diamine
CID 28792510
N'-ethyl-N'-[2-(ethylaminomethyl)phenyl]-N,N-dimethylpropane-1,3-diamine
CID 102995262
N'-(2-ethylsulfonylethyl)-N'-(2-fluorophenyl)propane-1,3-diamine
CID 43807495
azane;N-ethyl-2-(3-phenylpropyl)-N-propylaniline
CID 23460330
N,N,2,3-tetraethylaniline
CID 18696135

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-ethylphenyl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-(2-ethylphenyl)propane-1,3-diamine (CID 28772957) is N'-ethyl-N'-(2-ethylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-ethylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-(2-ethylphenyl)propane-1,3-diamine is CCc1ccccc1N(CC)CCCN.
What is the InChIKey of N'-ethyl-N'-(2-ethylphenyl)propane-1,3-diamine?
The InChIKey is IBJDDSMXBSXEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-12-8-5-6-9-13(12)15(4-2)11-7-10-14/h5-6,8-9H,3-4,7,10-11,14H2,1-2H3.
What are the key properties of N'-ethyl-N'-(2-ethylphenyl)propane-1,3-diamine?
N'-ethyl-N'-(2-ethylphenyl)propane-1,3-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-ethylphenyl)propane-1,3-diamine is sourced from PubChem (CID 28772957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).