2-[(4-methoxyphenyl)methoxy]-N-(2-phenoxyethyl)ethanamine

C18H23NO3 — CID 166769212

IUPAC2-[(4-methoxyphenyl)methoxy]-N-(2-phenoxyethyl)ethanamine
SMILESCOc1ccc(COCCNCCOc2ccccc2)cc1
InChIInChI=1S/C18H23NO3/c1-20-17-9-7-16(8-10-17)15-21-13-11-19-12-14-22-18-5-3-2-4-6-18/h2-10,19H,11-15H2,1H3
InChIKeyRTWPPQDJHXPKRE-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.88
Rot. Bonds10

About 2-[(4-methoxyphenyl)methoxy]-N-(2-phenoxyethyl)ethanamine

2-[(4-methoxyphenyl)methoxy]-N-(2-phenoxyethyl)ethanamine (PubChem CID 166769212) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methoxy]-N-(2-phenoxyethyl)ethanamine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methoxy]-N-(2-phenoxyethyl)ethanamine
PubChem CID166769212
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name2-[(4-methoxyphenyl)methoxy]-N-(2-phenoxyethyl)ethanamine
SMILESCOc1ccc(COCCNCCOc2ccccc2)cc1
InChIInChI=1S/C18H23NO3/c1-20-17-9-7-16(8-10-17)15-21-13-11-19-12-14-22-18-5-3-2-4-6-18/h2-10,19H,11-15H2,1H3
InChIKeyRTWPPQDJHXPKRE-UHFFFAOYSA-N
XLogP2.88
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
1,4-bis(2-phenoxyethoxymethyl)benzene
CID 19801574
1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
CID 101026265
2-[(4-methoxyphenyl)methoxy]-N-(pyridin-3-ylmethyl)ethanamine
CID 62598715
N-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine
CID 62937995
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine
CID 133444680
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride
CID 18793114
N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
CID 60683313
N-(2-phenoxyethyl)propan-1-amine
CID 6453152
4-[2-[(4-methoxyphenyl)methoxy]ethoxy]aniline
CID 43174442

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methoxy]-N-(2-phenoxyethyl)ethanamine?
The IUPAC name of 2-[(4-methoxyphenyl)methoxy]-N-(2-phenoxyethyl)ethanamine (CID 166769212) is 2-[(4-methoxyphenyl)methoxy]-N-(2-phenoxyethyl)ethanamine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methoxy]-N-(2-phenoxyethyl)ethanamine?
The canonical SMILES for 2-[(4-methoxyphenyl)methoxy]-N-(2-phenoxyethyl)ethanamine is COc1ccc(COCCNCCOc2ccccc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methoxy]-N-(2-phenoxyethyl)ethanamine?
The InChIKey is RTWPPQDJHXPKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-20-17-9-7-16(8-10-17)15-21-13-11-19-12-14-22-18-5-3-2-4-6-18/h2-10,19H,11-15H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methoxy]-N-(2-phenoxyethyl)ethanamine?
2-[(4-methoxyphenyl)methoxy]-N-(2-phenoxyethyl)ethanamine has a molecular weight of 301.39 g/mol, XLogP of 2.88, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methoxy]-N-(2-phenoxyethyl)ethanamine is sourced from PubChem (CID 166769212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).