N'-(4-ethoxyphenyl)-N-propylethane-1,2-diamine

C13H22N2O — CID 54805794

IUPACN'-(4-ethoxyphenyl)-N-propylethane-1,2-diamine
SMILESCCCNCCNc1ccc(OCC)cc1
InChIInChI=1S/C13H22N2O/c1-3-9-14-10-11-15-12-5-7-13(8-6-12)16-4-2/h5-8,14-15H,3-4,9-11H2,1-2H3
InChIKeyNMAYZPASFYRUGG-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.50
Rot. Bonds8

About N'-(4-ethoxyphenyl)-N-propylethane-1,2-diamine

N'-(4-ethoxyphenyl)-N-propylethane-1,2-diamine (PubChem CID 54805794) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N'-(4-ethoxyphenyl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-ethoxyphenyl)-N-propylethane-1,2-diamine
PubChem CID54805794
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN'-(4-ethoxyphenyl)-N-propylethane-1,2-diamine
SMILESCCCNCCNc1ccc(OCC)cc1
InChIInChI=1S/C13H22N2O/c1-3-9-14-10-11-15-12-5-7-13(8-6-12)16-4-2/h5-8,14-15H,3-4,9-11H2,1-2H3
InChIKeyNMAYZPASFYRUGG-UHFFFAOYSA-N
XLogP2.50
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(4-ethoxyphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54805879
N-[2-(4-ethoxyphenoxy)ethyl]propan-1-amine
CID 28879106
N'-(4-heptoxyphenyl)-N-heptylethane-1,2-diamine
CID 54807015
N-butyl-N'-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54807141
4-[2-(propylamino)ethylamino]benzonitrile
CID 62664287
N'-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54805793
4-ethoxy-N-(3-ethoxypropyl)aniline
CID 65176310
4-ethoxy-N-(2-pyridin-4-ylethyl)aniline
CID 60719981
N'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
CID 54808068
4-ethoxy-N-(3-methylbut-3-enyl)aniline
CID 114471877
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
N-propyl-N'-pyridin-4-ylethane-1,2-diamine
CID 62664105

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxyphenyl)-N-propylethane-1,2-diamine?
The IUPAC name of N'-(4-ethoxyphenyl)-N-propylethane-1,2-diamine (CID 54805794) is N'-(4-ethoxyphenyl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-(4-ethoxyphenyl)-N-propylethane-1,2-diamine?
The canonical SMILES for N'-(4-ethoxyphenyl)-N-propylethane-1,2-diamine is CCCNCCNc1ccc(OCC)cc1.
What is the InChIKey of N'-(4-ethoxyphenyl)-N-propylethane-1,2-diamine?
The InChIKey is NMAYZPASFYRUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-9-14-10-11-15-12-5-7-13(8-6-12)16-4-2/h5-8,14-15H,3-4,9-11H2,1-2H3.
What are the key properties of N'-(4-ethoxyphenyl)-N-propylethane-1,2-diamine?
N'-(4-ethoxyphenyl)-N-propylethane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxyphenyl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 54805794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).