2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine

C17H21NO3 — CID 11492984

IUPAC2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine
SMILESCOc1cc(COc2ccc(CCN)cc2)cc(OC)c1
InChIInChI=1S/C17H21NO3/c1-19-16-9-14(10-17(11-16)20-2)12-21-15-5-3-13(4-6-15)7-8-18/h3-6,9-11H,7-8,12,18H2,1-2H3
InChIKeyKKZXFKBMGKLSPP-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.78
Rot. Bonds7

About 2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine

2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine (PubChem CID 11492984) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine
PubChem CID11492984
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine
SMILESCOc1cc(COc2ccc(CCN)cc2)cc(OC)c1
InChIInChI=1S/C17H21NO3/c1-19-16-9-14(10-17(11-16)20-2)12-21-15-5-3-13(4-6-15)7-8-18/h3-6,9-11H,7-8,12,18H2,1-2H3
InChIKeyKKZXFKBMGKLSPP-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(3,5-dimethoxyphenyl)methoxy]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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine (CID 11492984) is 2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine is COc1cc(COc2ccc(CCN)cc2)cc(OC)c1.
What is the InChIKey of 2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine?
The InChIKey is KKZXFKBMGKLSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-19-16-9-14(10-17(11-16)20-2)12-21-15-5-3-13(4-6-15)7-8-18/h3-6,9-11H,7-8,12,18H2,1-2H3.
What are the key properties of 2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine?
2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine has a molecular weight of 287.36 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 11492984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).