2-[4-(2,6-dimethoxyphenoxy)phenyl]ethanamine

C16H19NO3 — CID 63815247

IUPAC2-[4-(2,6-dimethoxyphenoxy)phenyl]ethanamine
SMILESCOc1cccc(OC)c1Oc1ccc(CCN)cc1
InChIInChI=1S/C16H19NO3/c1-18-14-4-3-5-15(19-2)16(14)20-13-8-6-12(7-9-13)10-11-17/h3-9H,10-11,17H2,1-2H3
InChIKeyVOCAIERUPKASCS-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.00
Rot. Bonds6

About 2-[4-(2,6-dimethoxyphenoxy)phenyl]ethanamine

2-[4-(2,6-dimethoxyphenoxy)phenyl]ethanamine (PubChem CID 63815247) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[4-(2,6-dimethoxyphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2,6-dimethoxyphenoxy)phenyl]ethanamine
PubChem CID63815247
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[4-(2,6-dimethoxyphenoxy)phenyl]ethanamine
SMILESCOc1cccc(OC)c1Oc1ccc(CCN)cc1
InChIInChI=1S/C16H19NO3/c1-18-14-4-3-5-15(19-2)16(14)20-13-8-6-12(7-9-13)10-11-17/h3-9H,10-11,17H2,1-2H3
InChIKeyVOCAIERUPKASCS-UHFFFAOYSA-N
XLogP3.00
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2,6-dimethoxyphenoxy)phenyl]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-[4-(2-methoxyphenoxy)phenyl]ethanamine
CID 20986924
2-[4-[(6-methoxy-2-pyridinyl)oxy]phenyl]ethanamine
CID 63590271
2-[3-methoxy-2-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine
CID 22680814
2-[4-(4-methoxy-3-phenylphenoxy)phenyl]ethanamine
CID 68544414
2-[4-(2-chlorophenoxy)phenyl]ethanamine
CID 20993672
2-[4-(2-methylsulfanylphenoxy)phenyl]ethanamine
CID 63802833
2-[4-(2-tert-butyl-6-methylphenoxy)phenyl]ethanamine
CID 22687337
2-[4-(4-methylphenoxy)phenyl]ethanamine
CID 20985599
2-[4-(4-chlorophenoxy)-3-methoxyphenyl]ethanamine
CID 118338803
2-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanamine
CID 82039666
2-[4-bromo-2-(2,6-dimethoxyphenoxy)phenyl]ethanamine
CID 63815071
2-[4-(4-methylsulfanylphenoxy)phenyl]ethanamine
CID 63801985

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethoxyphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-(2,6-dimethoxyphenoxy)phenyl]ethanamine (CID 63815247) is 2-[4-(2,6-dimethoxyphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(2,6-dimethoxyphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-(2,6-dimethoxyphenoxy)phenyl]ethanamine is COc1cccc(OC)c1Oc1ccc(CCN)cc1.
What is the InChIKey of 2-[4-(2,6-dimethoxyphenoxy)phenyl]ethanamine?
The InChIKey is VOCAIERUPKASCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-18-14-4-3-5-15(19-2)16(14)20-13-8-6-12(7-9-13)10-11-17/h3-9H,10-11,17H2,1-2H3.
What are the key properties of 2-[4-(2,6-dimethoxyphenoxy)phenyl]ethanamine?
2-[4-(2,6-dimethoxyphenoxy)phenyl]ethanamine has a molecular weight of 273.33 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethoxyphenoxy)phenyl]ethanamine is sourced from PubChem (CID 63815247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).