3-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propan-1-amine

C19H25NO2 — CID 10732925

IUPAC3-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propan-1-amine
SMILESCc1ccc(OCCNCCCOc2ccccc2C)cc1
InChIInChI=1S/C19H25NO2/c1-16-8-10-18(11-9-16)21-15-13-20-12-5-14-22-19-7-4-3-6-17(19)2/h3-4,6-11,20H,5,12-15H2,1-2H3
InChIKeyDGFGHVHKQCWUJA-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.74
Rot. Bonds9

About 3-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propan-1-amine

3-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propan-1-amine (PubChem CID 10732925) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 3-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propan-1-amine
PubChem CID10732925
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name3-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propan-1-amine
SMILESCc1ccc(OCCNCCCOc2ccccc2C)cc1
InChIInChI=1S/C19H25NO2/c1-16-8-10-18(11-9-16)21-15-13-20-12-5-14-22-19-7-4-3-6-17(19)2/h3-4,6-11,20H,5,12-15H2,1-2H3
InChIKeyDGFGHVHKQCWUJA-UHFFFAOYSA-N
XLogP3.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propan-1-amine?
The IUPAC name of 3-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propan-1-amine (CID 10732925) is 3-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propan-1-amine.
What is the SMILES notation for 3-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propan-1-amine?
The canonical SMILES for 3-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propan-1-amine is Cc1ccc(OCCNCCCOc2ccccc2C)cc1.
What is the InChIKey of 3-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propan-1-amine?
The InChIKey is DGFGHVHKQCWUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-16-8-10-18(11-9-16)21-15-13-20-12-5-14-22-19-7-4-3-6-17(19)2/h3-4,6-11,20H,5,12-15H2,1-2H3.
What are the key properties of 3-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propan-1-amine?
3-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propan-1-amine has a molecular weight of 299.41 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propan-1-amine is sourced from PubChem (CID 10732925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).