N'-(2,3-dimethylphenyl)-N'-ethylpropane-1,3-diamine

C13H22N2 — CID 28772955

IUPACN'-(2,3-dimethylphenyl)-N'-ethylpropane-1,3-diamine
SMILESCCN(CCCN)c1cccc(C)c1C
InChIInChI=1S/C13H22N2/c1-4-15(10-6-9-14)13-8-5-7-11(2)12(13)3/h5,7-8H,4,6,9-10,14H2,1-3H3
InChIKeyDGAGKORRJNUMAA-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.48
Rot. Bonds5

About N'-(2,3-dimethylphenyl)-N'-ethylpropane-1,3-diamine

N'-(2,3-dimethylphenyl)-N'-ethylpropane-1,3-diamine (PubChem CID 28772955) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N'-(2,3-dimethylphenyl)-N'-ethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,3-dimethylphenyl)-N'-ethylpropane-1,3-diamine
PubChem CID28772955
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN'-(2,3-dimethylphenyl)-N'-ethylpropane-1,3-diamine
SMILESCCN(CCCN)c1cccc(C)c1C
InChIInChI=1S/C13H22N2/c1-4-15(10-6-9-14)13-8-5-7-11(2)12(13)3/h5,7-8H,4,6,9-10,14H2,1-3H3
InChIKeyDGAGKORRJNUMAA-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-N'-(2-ethylphenyl)propane-1,3-diamine
CID 28772957
3-(N-ethyl-2,3-dimethylanilino)propanoic acid
CID 82318760
3-[butyl(ethyl)amino]-2-methylphenol
CID 57208066
N'-ethyl-N'-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 62313462
3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbenzene-1,3-diamine
CID 102991274
N'-(2,6-difluorophenyl)-N'-ethylpropane-1,3-diamine
CID 28792510
2-amino-N-(2,3-dimethylphenyl)-N-ethylacetamide
CID 28794703
N-(2,3-dimethylphenyl)-N-ethyl-2,3-dimethylaniline;hydrochloride
CID 174691436
N'-(3,3-dimethylbutyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 54958186
1-amino-6-(N-ethyl-2-methylanilino)-2-methylhexan-2-ol
CID 64818535
2-(2,3-dimethyl-N-propylanilino)acetic acid
CID 83560260
N-(2,3-dimethylphenyl)-2,3-dimethyl-N-octadecylaniline;hydrochloride
CID 174279971

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dimethylphenyl)-N'-ethylpropane-1,3-diamine?
The IUPAC name of N'-(2,3-dimethylphenyl)-N'-ethylpropane-1,3-diamine (CID 28772955) is N'-(2,3-dimethylphenyl)-N'-ethylpropane-1,3-diamine.
What is the SMILES notation for N'-(2,3-dimethylphenyl)-N'-ethylpropane-1,3-diamine?
The canonical SMILES for N'-(2,3-dimethylphenyl)-N'-ethylpropane-1,3-diamine is CCN(CCCN)c1cccc(C)c1C.
What is the InChIKey of N'-(2,3-dimethylphenyl)-N'-ethylpropane-1,3-diamine?
The InChIKey is DGAGKORRJNUMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-15(10-6-9-14)13-8-5-7-11(2)12(13)3/h5,7-8H,4,6,9-10,14H2,1-3H3.
What are the key properties of N'-(2,3-dimethylphenyl)-N'-ethylpropane-1,3-diamine?
N'-(2,3-dimethylphenyl)-N'-ethylpropane-1,3-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dimethylphenyl)-N'-ethylpropane-1,3-diamine is sourced from PubChem (CID 28772955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).