N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methylphenyl)methoxy]phenoxy]ethanamine

C26H31NO5 — CID 11604548

IUPACN-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methylphenyl)methoxy]phenoxy]ethanamine
SMILESCOc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(C)cc1
InChIInChI=1S/C26H31NO5/c1-20-11-13-21(14-12-20)19-32-23-8-5-4-7-22(23)30-17-15-27-16-18-31-26-24(28-2)9-6-10-25(26)29-3/h4-14,27H,15-19H2,1-3H3
InChIKeyHSFCJJXHMJXZAX-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.64
Rot. Bonds13

About N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methylphenyl)methoxy]phenoxy]ethanamine

N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methylphenyl)methoxy]phenoxy]ethanamine (PubChem CID 11604548) has the molecular formula C26H31NO5 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methylphenyl)methoxy]phenoxy]ethanamine.

Molecular Properties

Compound NameN-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methylphenyl)methoxy]phenoxy]ethanamine
PubChem CID11604548
Molecular FormulaC26H31NO5
Molecular Weight437.54 g/mol
Exact Mass437.22
IUPAC NameN-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methylphenyl)methoxy]phenoxy]ethanamine
SMILESCOc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(C)cc1
InChIInChI=1S/C26H31NO5/c1-20-11-13-21(14-12-20)19-32-23-8-5-4-7-22(23)30-17-15-27-16-18-31-26-24(28-2)9-6-10-25(26)29-3/h4-14,27H,15-19H2,1-3H3
InChIKeyHSFCJJXHMJXZAX-UHFFFAOYSA-N
XLogP4.64
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methylphenyl)methoxy]phenoxy]ethanamine 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-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methylphenyl)methoxy]phenoxy]ethanamine?
The IUPAC name of N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methylphenyl)methoxy]phenoxy]ethanamine (CID 11604548) is N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methylphenyl)methoxy]phenoxy]ethanamine.
What is the SMILES notation for N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methylphenyl)methoxy]phenoxy]ethanamine?
The canonical SMILES for N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methylphenyl)methoxy]phenoxy]ethanamine is COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(C)cc1.
What is the InChIKey of N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methylphenyl)methoxy]phenoxy]ethanamine?
The InChIKey is HSFCJJXHMJXZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO5/c1-20-11-13-21(14-12-20)19-32-23-8-5-4-7-22(23)30-17-15-27-16-18-31-26-24(28-2)9-6-10-25(26)29-3/h4-14,27H,15-19H2,1-3H3.
What are the key properties of N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methylphenyl)methoxy]phenoxy]ethanamine?
N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methylphenyl)methoxy]phenoxy]ethanamine has a molecular weight of 437.54 g/mol, XLogP of 4.64, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methylphenyl)methoxy]phenoxy]ethanamine is sourced from PubChem (CID 11604548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).