N'-[2-(2,3-dimethylphenoxy)ethyl]propane-1,3-diamine

C13H22N2O — CID 82339438

IUPACN'-[2-(2,3-dimethylphenoxy)ethyl]propane-1,3-diamine
SMILESCc1cccc(OCCNCCCN)c1C
InChIInChI=1S/C13H22N2O/c1-11-5-3-6-13(12(11)2)16-10-9-15-8-4-7-14/h3,5-6,15H,4,7-10,14H2,1-2H3
InChIKeyDBDPDWSOGDMJKK-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.62
Rot. Bonds7

About N'-[2-(2,3-dimethylphenoxy)ethyl]propane-1,3-diamine

N'-[2-(2,3-dimethylphenoxy)ethyl]propane-1,3-diamine (PubChem CID 82339438) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N'-[2-(2,3-dimethylphenoxy)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(2,3-dimethylphenoxy)ethyl]propane-1,3-diamine
PubChem CID82339438
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN'-[2-(2,3-dimethylphenoxy)ethyl]propane-1,3-diamine
SMILESCc1cccc(OCCNCCCN)c1C
InChIInChI=1S/C13H22N2O/c1-11-5-3-6-13(12(11)2)16-10-9-15-8-4-7-14/h3,5-6,15H,4,7-10,14H2,1-2H3
InChIKeyDBDPDWSOGDMJKK-UHFFFAOYSA-N
XLogP1.62
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2,3-dimethylphenoxy)propylamino]ethanol
CID 2249838
2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride
CID 75531600
N-(2-cyclohexyloxyethyl)-3-(2,3-dimethylphenoxy)propan-1-amine
CID 59854626
N-(cyclopentylmethyl)-2-(2,3-dimethylphenoxy)ethanamine
CID 62572121
2-[4-(2,3-dimethylphenoxy)butylamino]ethanethiol;sulfuric acid
CID 71436049
5-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
CID 62455061
2-[2-(2,3-dimethylphenoxy)ethoxy]-N-ethylethanamine
CID 82353922
4-(2,3-dimethylphenoxy)butanehydrazide
CID 63574436
N-[2-(2,3-dimethylphenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 55088359
N-[2-(2-methylphenoxy)ethyl]pentan-1-amine
CID 60684172
1-(3-bromopropoxy)-2,3-dimethylbenzene
CID 6483771
3-(2-methylphenoxy)-N-propylpropan-1-amine
CID 29015661

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dimethylphenoxy)ethyl]propane-1,3-diamine?
The IUPAC name of N'-[2-(2,3-dimethylphenoxy)ethyl]propane-1,3-diamine (CID 82339438) is N'-[2-(2,3-dimethylphenoxy)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-[2-(2,3-dimethylphenoxy)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-[2-(2,3-dimethylphenoxy)ethyl]propane-1,3-diamine is Cc1cccc(OCCNCCCN)c1C.
What is the InChIKey of N'-[2-(2,3-dimethylphenoxy)ethyl]propane-1,3-diamine?
The InChIKey is DBDPDWSOGDMJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-5-3-6-13(12(11)2)16-10-9-15-8-4-7-14/h3,5-6,15H,4,7-10,14H2,1-2H3.
What are the key properties of N'-[2-(2,3-dimethylphenoxy)ethyl]propane-1,3-diamine?
N'-[2-(2,3-dimethylphenoxy)ethyl]propane-1,3-diamine has a molecular weight of 222.33 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dimethylphenoxy)ethyl]propane-1,3-diamine is sourced from PubChem (CID 82339438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).