2-[3-(methoxymethyl)phenoxy]-1-(4-methoxyphenyl)ethanamine

C17H21NO3 — CID 63986560

IUPAC2-[3-(methoxymethyl)phenoxy]-1-(4-methoxyphenyl)ethanamine
SMILESCOCc1cccc(OCC(N)c2ccc(OC)cc2)c1
InChIInChI=1S/C17H21NO3/c1-19-11-13-4-3-5-16(10-13)21-12-17(18)14-6-8-15(20-2)9-7-14/h3-10,17H,11-12,18H2,1-2H3
InChIKeyKINRFIRUIHYJSL-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.92
Rot. Bonds7

About 2-[3-(methoxymethyl)phenoxy]-1-(4-methoxyphenyl)ethanamine

2-[3-(methoxymethyl)phenoxy]-1-(4-methoxyphenyl)ethanamine (PubChem CID 63986560) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)phenoxy]-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)phenoxy]-1-(4-methoxyphenyl)ethanamine
PubChem CID63986560
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-[3-(methoxymethyl)phenoxy]-1-(4-methoxyphenyl)ethanamine
SMILESCOCc1cccc(OCC(N)c2ccc(OC)cc2)c1
InChIInChI=1S/C17H21NO3/c1-19-11-13-4-3-5-16(10-13)21-12-17(18)14-6-8-15(20-2)9-7-14/h3-10,17H,11-12,18H2,1-2H3
InChIKeyKINRFIRUIHYJSL-UHFFFAOYSA-N
XLogP2.92
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(methoxymethyl)phenoxy]-1-(4-methoxyphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine
CID 16784581
1-(2,4-dimethylphenyl)-2-[3-(methoxymethyl)phenoxy]ethanamine
CID 63986563
1-[3-(methoxymethyl)phenoxy]pentan-2-amine
CID 63984772
2-(3-ethylphenoxy)-1-phenylethanamine
CID 43211626
2-(3,5-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine
CID 16793482
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318
2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 62336890
3-[2-amino-2-(4-methylphenyl)ethoxy]phenol
CID 117244597
2-(4-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 16791340
2-(1,3-benzodioxol-5-yloxy)-1-(4-methoxyphenyl)ethanamine
CID 43211655
2-(4-methoxyphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine
CID 82160336
[4-[2-[3-(methoxymethyl)phenoxy]ethoxy]phenyl]methanamine
CID 63986556

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)phenoxy]-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of 2-[3-(methoxymethyl)phenoxy]-1-(4-methoxyphenyl)ethanamine (CID 63986560) is 2-[3-(methoxymethyl)phenoxy]-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-[3-(methoxymethyl)phenoxy]-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-[3-(methoxymethyl)phenoxy]-1-(4-methoxyphenyl)ethanamine is COCc1cccc(OCC(N)c2ccc(OC)cc2)c1.
What is the InChIKey of 2-[3-(methoxymethyl)phenoxy]-1-(4-methoxyphenyl)ethanamine?
The InChIKey is KINRFIRUIHYJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-19-11-13-4-3-5-16(10-13)21-12-17(18)14-6-8-15(20-2)9-7-14/h3-10,17H,11-12,18H2,1-2H3.
What are the key properties of 2-[3-(methoxymethyl)phenoxy]-1-(4-methoxyphenyl)ethanamine?
2-[3-(methoxymethyl)phenoxy]-1-(4-methoxyphenyl)ethanamine has a molecular weight of 287.36 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)phenoxy]-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 63986560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).