4-N-(2-ethoxyethyl)-2-propylbenzene-1,4-diamine

C13H22N2O — CID 57203096

IUPAC4-N-(2-ethoxyethyl)-2-propylbenzene-1,4-diamine
SMILESCCCc1cc(NCCOCC)ccc1N
InChIInChI=1S/C13H22N2O/c1-3-5-11-10-12(6-7-13(11)14)15-8-9-16-4-2/h6-7,10,15H,3-5,8-9,14H2,1-2H3
InChIKeyGUSRVHZEQWIBFQ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.67
Rot. Bonds7

About 4-N-(2-ethoxyethyl)-2-propylbenzene-1,4-diamine

4-N-(2-ethoxyethyl)-2-propylbenzene-1,4-diamine (PubChem CID 57203096) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-N-(2-ethoxyethyl)-2-propylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyethyl)-2-propylbenzene-1,4-diamine
PubChem CID57203096
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-N-(2-ethoxyethyl)-2-propylbenzene-1,4-diamine
SMILESCCCc1cc(NCCOCC)ccc1N
InChIInChI=1S/C13H22N2O/c1-3-5-11-10-12(6-7-13(11)14)15-8-9-16-4-2/h6-7,10,15H,3-5,8-9,14H2,1-2H3
InChIKeyGUSRVHZEQWIBFQ-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-methyl-2-propylbenzene-1,4-diamine
CID 141261485
2-(4-amino-3-propylanilino)acetamide
CID 57173900
2-amino-4-(2-ethoxyethylamino)benzoic acid
CID 104500034
2-[4-amino-3-(2-methoxyethyl)anilino]ethanol
CID 57193962
2-[2-amino-5-(ethylamino)phenyl]ethanol
CID 70494826
3-bromo-N-(2-ethoxyethyl)-4-methylaniline
CID 63334214
4-N,2-diethylbenzene-1,4-diamine
CID 69192870
1-(4-amino-3-propylanilino)ethanol
CID 57033695
4-bromo-N-(2-ethoxyethyl)-3-methylaniline
CID 43387860
4-[[4-amino-N-(2-ethoxyethyl)-3-propylanilino]-(2-methoxyethyl)amino]-2-propylaniline
CID 57193034
2-amino-5-(3-ethoxypropylamino)benzamide
CID 61306219
2-N-(2-ethoxyethyl)-3,4-difluorobenzene-1,2-diamine
CID 62532492

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyethyl)-2-propylbenzene-1,4-diamine?
The IUPAC name of 4-N-(2-ethoxyethyl)-2-propylbenzene-1,4-diamine (CID 57203096) is 4-N-(2-ethoxyethyl)-2-propylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-ethoxyethyl)-2-propylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(2-ethoxyethyl)-2-propylbenzene-1,4-diamine is CCCc1cc(NCCOCC)ccc1N.
What is the InChIKey of 4-N-(2-ethoxyethyl)-2-propylbenzene-1,4-diamine?
The InChIKey is GUSRVHZEQWIBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-5-11-10-12(6-7-13(11)14)15-8-9-16-4-2/h6-7,10,15H,3-5,8-9,14H2,1-2H3.
What are the key properties of 4-N-(2-ethoxyethyl)-2-propylbenzene-1,4-diamine?
4-N-(2-ethoxyethyl)-2-propylbenzene-1,4-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyethyl)-2-propylbenzene-1,4-diamine is sourced from PubChem (CID 57203096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).