2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine

C17H21NO3 — CID 39388259

IUPAC2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNCCOc2ccc(OC)cc2)cc1
InChIInChI=1S/C17H21NO3/c1-19-15-5-3-14(4-6-15)13-18-11-12-21-17-9-7-16(20-2)8-10-17/h3-10,18H,11-13H2,1-2H3
InChIKeyLEKFJBRMZQSESJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.87
Rot. Bonds8

About 2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine

2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine (PubChem CID 39388259) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
PubChem CID39388259
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNCCOc2ccc(OC)cc2)cc1
InChIInChI=1S/C17H21NO3/c1-19-15-5-3-14(4-6-15)13-18-11-12-21-17-9-7-16(20-2)8-10-17/h3-10,18H,11-13H2,1-2H3
InChIKeyLEKFJBRMZQSESJ-UHFFFAOYSA-N
XLogP2.87
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.87
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-bromophenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 60685867
2-(4-tert-butylphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39454639
N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345
2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55146437
2-[4-[[2-(4-methoxyphenoxy)ethylamino]methyl]phenoxy]-2-methylpropanoic acid
CID 70806396
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
2-butoxy-N-[(4-methoxyphenyl)methyl]ethanamine
CID 55137655
2-[(4-methoxyphenyl)methylamino]ethanethiol
CID 14306201
4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol
CID 79360226
N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
CID 60683313
2-[(4-methoxyphenyl)methylamino]ethanol;hydrochloride
CID 17292349
3-ethenoxy-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 4789471

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine (CID 39388259) is 2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine is COc1ccc(CNCCOc2ccc(OC)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine?
The InChIKey is LEKFJBRMZQSESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-19-15-5-3-14(4-6-15)13-18-11-12-21-17-9-7-16(20-2)8-10-17/h3-10,18H,11-13H2,1-2H3.
What are the key properties of 2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine?
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine has a molecular weight of 287.36 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 39388259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).