N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)propane-1,3-diamine

C15H26N2O — CID 62569298

IUPACN'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)propane-1,3-diamine
SMILESCCN(CCCNCCOC)c1ccccc1C
InChIInChI=1S/C15H26N2O/c1-4-17(12-7-10-16-11-13-18-3)15-9-6-5-8-14(15)2/h5-6,8-9,16H,4,7,10-13H2,1-3H3
InChIKeyPTNVTZBPZQDEBP-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.45
Rot. Bonds9

About N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)propane-1,3-diamine

N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)propane-1,3-diamine (PubChem CID 62569298) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)propane-1,3-diamine
PubChem CID62569298
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)propane-1,3-diamine
SMILESCCN(CCCNCCOC)c1ccccc1C
InChIInChI=1S/C15H26N2O/c1-4-17(12-7-10-16-11-13-18-3)15-9-6-5-8-14(15)2/h5-6,8-9,16H,4,7,10-13H2,1-3H3
InChIKeyPTNVTZBPZQDEBP-UHFFFAOYSA-N
XLogP2.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)propane-1,3-diamine (CID 62569298) is N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)propane-1,3-diamine is CCN(CCCNCCOC)c1ccccc1C.
What is the InChIKey of N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)propane-1,3-diamine?
The InChIKey is PTNVTZBPZQDEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-17(12-7-10-16-11-13-18-3)15-9-6-5-8-14(15)2/h5-6,8-9,16H,4,7,10-13H2,1-3H3.
What are the key properties of N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)propane-1,3-diamine?
N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)propane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 62569298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).