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

C26H31NO6 — CID 11669646

IUPACN-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methoxyphenyl)methoxy]phenoxy]ethanamine
SMILESCOc1ccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)cc1
InChIInChI=1S/C26H31NO6/c1-28-21-13-11-20(12-14-21)19-33-23-8-5-4-7-22(23)31-17-15-27-16-18-32-26-24(29-2)9-6-10-25(26)30-3/h4-14,27H,15-19H2,1-3H3
InChIKeyVFBXMTYMQDPWHB-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.34
Rot. Bonds14

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

N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methoxyphenyl)methoxy]phenoxy]ethanamine (PubChem CID 11669646) has the molecular formula C26H31NO6 and a molecular weight of 453.54 g/mol. Its IUPAC name is N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methoxyphenyl)methoxy]phenoxy]ethanamine.

Molecular Properties

Compound NameN-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methoxyphenyl)methoxy]phenoxy]ethanamine
PubChem CID11669646
Molecular FormulaC26H31NO6
Molecular Weight453.54 g/mol
Exact Mass453.22
IUPAC NameN-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methoxyphenyl)methoxy]phenoxy]ethanamine
SMILESCOc1ccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)cc1
InChIInChI=1S/C26H31NO6/c1-28-21-13-11-20(12-14-21)19-33-23-8-5-4-7-22(23)31-17-15-27-16-18-32-26-24(29-2)9-6-10-25(26)30-3/h4-14,27H,15-19H2,1-3H3
InChIKeyVFBXMTYMQDPWHB-UHFFFAOYSA-N
XLogP4.34
TPSA67.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methoxyphenyl)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-methoxyphenyl)methoxy]phenoxy]ethanamine?
The IUPAC name of N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methoxyphenyl)methoxy]phenoxy]ethanamine (CID 11669646) is N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methoxyphenyl)methoxy]phenoxy]ethanamine.
What is the SMILES notation for N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methoxyphenyl)methoxy]phenoxy]ethanamine?
The canonical SMILES for N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methoxyphenyl)methoxy]phenoxy]ethanamine is COc1ccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)cc1.
What is the InChIKey of N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methoxyphenyl)methoxy]phenoxy]ethanamine?
The InChIKey is VFBXMTYMQDPWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO6/c1-28-21-13-11-20(12-14-21)19-33-23-8-5-4-7-22(23)31-17-15-27-16-18-32-26-24(29-2)9-6-10-25(26)30-3/h4-14,27H,15-19H2,1-3H3.
What are the key properties of N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methoxyphenyl)methoxy]phenoxy]ethanamine?
N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methoxyphenyl)methoxy]phenoxy]ethanamine has a molecular weight of 453.54 g/mol, XLogP of 4.34, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-[2-[(4-methoxyphenyl)methoxy]phenoxy]ethanamine is sourced from PubChem (CID 11669646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).