N-[2-(2-methoxy-6-methylphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine

C25H29NO4 — CID 52943356

IUPACN-[2-(2-methoxy-6-methylphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine
SMILESCOc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1
InChIInChI=1S/C25H29NO4/c1-20-9-8-14-24(27-2)25(20)29-18-16-26-15-17-28-22-12-6-7-13-23(22)30-19-21-10-4-3-5-11-21/h3-14,26H,15-19H2,1-2H3
InChIKeyWPQJHJUCAXKHKN-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.63
Rot. Bonds12

About N-[2-(2-methoxy-6-methylphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine

N-[2-(2-methoxy-6-methylphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine (PubChem CID 52943356) has the molecular formula C25H29NO4 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[2-(2-methoxy-6-methylphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine.

Molecular Properties

Compound NameN-[2-(2-methoxy-6-methylphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine
PubChem CID52943356
Molecular FormulaC25H29NO4
Molecular Weight407.51 g/mol
Exact Mass407.21
IUPAC NameN-[2-(2-methoxy-6-methylphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine
SMILESCOc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1
InChIInChI=1S/C25H29NO4/c1-20-9-8-14-24(27-2)25(20)29-18-16-26-15-17-28-22-12-6-7-13-23(22)30-19-21-10-4-3-5-11-21/h3-14,26H,15-19H2,1-2H3
InChIKeyWPQJHJUCAXKHKN-UHFFFAOYSA-N
XLogP4.63
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxy-6-methylphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine?
The IUPAC name of N-[2-(2-methoxy-6-methylphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine (CID 52943356) is N-[2-(2-methoxy-6-methylphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine.
What is the SMILES notation for N-[2-(2-methoxy-6-methylphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine?
The canonical SMILES for N-[2-(2-methoxy-6-methylphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine is COc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1.
What is the InChIKey of N-[2-(2-methoxy-6-methylphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine?
The InChIKey is WPQJHJUCAXKHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO4/c1-20-9-8-14-24(27-2)25(20)29-18-16-26-15-17-28-22-12-6-7-13-23(22)30-19-21-10-4-3-5-11-21/h3-14,26H,15-19H2,1-2H3.
What are the key properties of N-[2-(2-methoxy-6-methylphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine?
N-[2-(2-methoxy-6-methylphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine has a molecular weight of 407.51 g/mol, XLogP of 4.63, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-6-methylphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine is sourced from PubChem (CID 52943356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).