N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine

C25H29NO5 — CID 10364994

IUPACN-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine
SMILESCOc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1
InChIInChI=1S/C25H29NO5/c1-27-23-13-8-14-24(28-2)25(23)30-18-16-26-15-17-29-21-11-6-7-12-22(21)31-19-20-9-4-3-5-10-20/h3-14,26H,15-19H2,1-2H3
InChIKeyZQKYJYUHIBOEHV-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.33
Rot. Bonds13

About N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine

N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine (PubChem CID 10364994) has the molecular formula C25H29NO5 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine.

Molecular Properties

Compound NameN-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine
PubChem CID10364994
Molecular FormulaC25H29NO5
Molecular Weight423.51 g/mol
Exact Mass423.20
IUPAC NameN-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine
SMILESCOc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1
InChIInChI=1S/C25H29NO5/c1-27-23-13-8-14-24(28-2)25(23)30-18-16-26-15-17-29-21-11-6-7-12-22(21)31-19-20-9-4-3-5-10-20/h3-14,26H,15-19H2,1-2H3
InChIKeyZQKYJYUHIBOEHV-UHFFFAOYSA-N
XLogP4.33
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine?
The IUPAC name of N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine (CID 10364994) is N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine.
What is the SMILES notation for N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine?
The canonical SMILES for N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine is COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1.
What is the InChIKey of N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine?
The InChIKey is ZQKYJYUHIBOEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO5/c1-27-23-13-8-14-24(28-2)25(23)30-18-16-26-15-17-29-21-11-6-7-12-22(21)31-19-20-9-4-3-5-10-20/h3-14,26H,15-19H2,1-2H3.
What are the key properties of N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine?
N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine has a molecular weight of 423.51 g/mol, XLogP of 4.33, 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-phenylmethoxyphenoxy)ethanamine is sourced from PubChem (CID 10364994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).