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

C19H25NO2 — CID 10590285

IUPAC3-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propan-1-amine
SMILESCc1ccc(OCCCNCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C19H25NO2/c1-16-4-8-18(9-5-16)21-14-3-12-20-13-15-22-19-10-6-17(2)7-11-19/h4-11,20H,3,12-15H2,1-2H3
InChIKeyAXXXFCGETBIMKI-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.74
Rot. Bonds9

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

3-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propan-1-amine (PubChem CID 10590285) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 3-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propan-1-amine
PubChem CID10590285
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name3-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propan-1-amine
SMILESCc1ccc(OCCCNCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C19H25NO2/c1-16-4-8-18(9-5-16)21-14-3-12-20-13-15-22-19-10-6-17(2)7-11-19/h4-11,20H,3,12-15H2,1-2H3
InChIKeyAXXXFCGETBIMKI-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'}

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

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

Launch Full Analysis

Related Compounds

Tamoxifen
CID 2733526
Bisoprolol
CID 2405
Fluoxetine
CID 3386
Metoprolol
CID 4171
Esreboxetine
CID 65856
Atomoxetine
CID 54841
Reboxetine
CID 127151
Isoxsuprine Hydrochloride
CID 11368
Reconcile
CID 62857
Betaxolol
CID 2369
Phenyltoloxamine
CID 7077
Atomoxetine Hydrochloride
CID 54840

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propan-1-amine?
The IUPAC name of 3-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propan-1-amine (CID 10590285) is 3-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propan-1-amine.
What is the SMILES notation for 3-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propan-1-amine?
The canonical SMILES for 3-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propan-1-amine is Cc1ccc(OCCCNCCOc2ccc(C)cc2)cc1.
What is the InChIKey of 3-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propan-1-amine?
The InChIKey is AXXXFCGETBIMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-16-4-8-18(9-5-16)21-14-3-12-20-13-15-22-19-10-6-17(2)7-11-19/h4-11,20H,3,12-15H2,1-2H3.
What are the key properties of 3-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propan-1-amine?
3-(4-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-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propan-1-amine is sourced from PubChem (CID 10590285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).