1-[4-methoxy-3-(2-phenylethoxy)phenyl]decan-2-amine

C25H37NO2 — CID 11794387

IUPAC1-[4-methoxy-3-(2-phenylethoxy)phenyl]decan-2-amine
SMILESCCCCCCCCC(N)Cc1ccc(OC)c(OCCc2ccccc2)c1
InChIInChI=1S/C25H37NO2/c1-3-4-5-6-7-11-14-23(26)19-22-15-16-24(27-2)25(20-22)28-18-17-21-12-9-8-10-13-21/h8-10,12-13,15-16,20,23H,3-7,11,14,17-19,26H2,1-2H3
InChIKeyGCJGOTJJJSHTKU-UHFFFAOYSA-N
MW383.58 g/mol
LogP5.94
Rot. Bonds14

About 1-[4-methoxy-3-(2-phenylethoxy)phenyl]decan-2-amine

1-[4-methoxy-3-(2-phenylethoxy)phenyl]decan-2-amine (PubChem CID 11794387) has the molecular formula C25H37NO2 and a molecular weight of 383.58 g/mol. Its IUPAC name is 1-[4-methoxy-3-(2-phenylethoxy)phenyl]decan-2-amine.

Molecular Properties

Compound Name1-[4-methoxy-3-(2-phenylethoxy)phenyl]decan-2-amine
PubChem CID11794387
Molecular FormulaC25H37NO2
Molecular Weight383.58 g/mol
Exact Mass383.28
IUPAC Name1-[4-methoxy-3-(2-phenylethoxy)phenyl]decan-2-amine
SMILESCCCCCCCCC(N)Cc1ccc(OC)c(OCCc2ccccc2)c1
InChIInChI=1S/C25H37NO2/c1-3-4-5-6-7-11-14-23(26)19-22-15-16-24(27-2)25(20-22)28-18-17-21-12-9-8-10-13-21/h8-10,12-13,15-16,20,23H,3-7,11,14,17-19,26H2,1-2H3
InChIKeyGCJGOTJJJSHTKU-UHFFFAOYSA-N
XLogP5.94
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.58
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-methoxy-3-(2-phenylethoxy)phenyl]decan-2-amine 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 1-[4-methoxy-3-(2-phenylethoxy)phenyl]decan-2-amine?
The IUPAC name of 1-[4-methoxy-3-(2-phenylethoxy)phenyl]decan-2-amine (CID 11794387) is 1-[4-methoxy-3-(2-phenylethoxy)phenyl]decan-2-amine.
What is the SMILES notation for 1-[4-methoxy-3-(2-phenylethoxy)phenyl]decan-2-amine?
The canonical SMILES for 1-[4-methoxy-3-(2-phenylethoxy)phenyl]decan-2-amine is CCCCCCCCC(N)Cc1ccc(OC)c(OCCc2ccccc2)c1.
What is the InChIKey of 1-[4-methoxy-3-(2-phenylethoxy)phenyl]decan-2-amine?
The InChIKey is GCJGOTJJJSHTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO2/c1-3-4-5-6-7-11-14-23(26)19-22-15-16-24(27-2)25(20-22)28-18-17-21-12-9-8-10-13-21/h8-10,12-13,15-16,20,23H,3-7,11,14,17-19,26H2,1-2H3.
What are the key properties of 1-[4-methoxy-3-(2-phenylethoxy)phenyl]decan-2-amine?
1-[4-methoxy-3-(2-phenylethoxy)phenyl]decan-2-amine has a molecular weight of 383.58 g/mol, XLogP of 5.94, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(2-phenylethoxy)phenyl]decan-2-amine is sourced from PubChem (CID 11794387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).