2-[1-(2,3-dimethylphenyl)ethyl]propane-1,3-diamine

C13H22N2 — CID 83921996

IUPAC2-[1-(2,3-dimethylphenyl)ethyl]propane-1,3-diamine
SMILESCc1cccc(C(C)C(CN)CN)c1C
InChIInChI=1S/C13H22N2/c1-9-5-4-6-13(10(9)2)11(3)12(7-14)8-15/h4-6,11-12H,7-8,14-15H2,1-3H3
InChIKeyNZGVBGYJEZYRJS-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.94
Rot. Bonds4

About 2-[1-(2,3-dimethylphenyl)ethyl]propane-1,3-diamine

2-[1-(2,3-dimethylphenyl)ethyl]propane-1,3-diamine (PubChem CID 83921996) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-[1-(2,3-dimethylphenyl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[1-(2,3-dimethylphenyl)ethyl]propane-1,3-diamine
PubChem CID83921996
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-[1-(2,3-dimethylphenyl)ethyl]propane-1,3-diamine
SMILESCc1cccc(C(C)C(CN)CN)c1C
InChIInChI=1S/C13H22N2/c1-9-5-4-6-13(10(9)2)11(3)12(7-14)8-15/h4-6,11-12H,7-8,14-15H2,1-3H3
InChIKeyNZGVBGYJEZYRJS-UHFFFAOYSA-N
XLogP1.94
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine
CID 130869283
1,2-dimethyl-3-(1-methylsulfanylethyl)benzene
CID 86182436
1-(2,3-dimethylphenyl)-3-methylbutan-1-amine
CID 584234
(1S)-1-(2,3-dimethylphenyl)propane-1,3-diamine;hydrochloride
CID 171222107
2-[3-(3-bromo-2-methylphenyl)butan-2-yl]propane-1,3-diamine
CID 83925996
(1R)-1-(2,3-dimethylphenyl)-2-methylbutan-1-amine
CID 130806142
1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
CID 143062777
1-[1-[2-(2,3-dimethylphenyl)propoxy]propan-2-yl]-2,3-dimethylbenzene
CID 139620265
1-(2,3-dimethylphenyl)-2,3-dimethylbutan-1-amine
CID 115850536
1-(2,3-dimethylphenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 62538026
3-(2,3-dimethylphenyl)-N-ethyl-2-methylbutan-1-amine
CID 81016661
(2,3-dimethylphenyl)-(2-methylphenyl)methanamine
CID 55085139

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dimethylphenyl)ethyl]propane-1,3-diamine?
The IUPAC name of 2-[1-(2,3-dimethylphenyl)ethyl]propane-1,3-diamine (CID 83921996) is 2-[1-(2,3-dimethylphenyl)ethyl]propane-1,3-diamine.
What is the SMILES notation for 2-[1-(2,3-dimethylphenyl)ethyl]propane-1,3-diamine?
The canonical SMILES for 2-[1-(2,3-dimethylphenyl)ethyl]propane-1,3-diamine is Cc1cccc(C(C)C(CN)CN)c1C.
What is the InChIKey of 2-[1-(2,3-dimethylphenyl)ethyl]propane-1,3-diamine?
The InChIKey is NZGVBGYJEZYRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-9-5-4-6-13(10(9)2)11(3)12(7-14)8-15/h4-6,11-12H,7-8,14-15H2,1-3H3.
What are the key properties of 2-[1-(2,3-dimethylphenyl)ethyl]propane-1,3-diamine?
2-[1-(2,3-dimethylphenyl)ethyl]propane-1,3-diamine has a molecular weight of 206.33 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dimethylphenyl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 83921996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).