2-(3,4-dimethoxy-5-phenylphenyl)ethanamine

C16H19NO2 — CID 82038802

IUPAC2-(3,4-dimethoxy-5-phenylphenyl)ethanamine
SMILESCOc1cc(CCN)cc(-c2ccccc2)c1OC
InChIInChI=1S/C16H19NO2/c1-18-15-11-12(8-9-17)10-14(16(15)19-2)13-6-4-3-5-7-13/h3-7,10-11H,8-9,17H2,1-2H3
InChIKeyNAUIICXWYHAQBE-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.87
Rot. Bonds5

About 2-(3,4-dimethoxy-5-phenylphenyl)ethanamine

2-(3,4-dimethoxy-5-phenylphenyl)ethanamine (PubChem CID 82038802) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(3,4-dimethoxy-5-phenylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxy-5-phenylphenyl)ethanamine
PubChem CID82038802
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-(3,4-dimethoxy-5-phenylphenyl)ethanamine
SMILESCOc1cc(CCN)cc(-c2ccccc2)c1OC
InChIInChI=1S/C16H19NO2/c1-18-15-11-12(8-9-17)10-14(16(15)19-2)13-6-4-3-5-7-13/h3-7,10-11H,8-9,17H2,1-2H3
InChIKeyNAUIICXWYHAQBE-UHFFFAOYSA-N
XLogP2.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxy-5-pyridin-3-ylphenyl)ethanamine
CID 39226574
2-[3-(2-fluorophenyl)-4,5-dimethoxyphenyl]ethanamine
CID 82038950
2-(3,4-dimethoxy-5-pyridin-2-ylphenyl)ethanamine
CID 39226519
3-(3,4-dimethoxy-5-phenylphenyl)butan-1-amine
CID 82542986
2-[3,4-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]ethanamine
CID 82039882
2-[4-(4-methoxy-3-phenylphenoxy)phenyl]ethanamine
CID 68544414
2-[3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)phenyl]ethanamine
CID 82039989
2-[3-chloro-5-methoxy-4-(2-phenylethoxy)phenyl]ethanamine
CID 20986329
2-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanamine
CID 82039666
2-[3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 22683993
2-(3-phenyl-4-propoxyphenyl)ethanamine
CID 170888303
2-[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]ethanamine
CID 82039087

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxy-5-phenylphenyl)ethanamine?
The IUPAC name of 2-(3,4-dimethoxy-5-phenylphenyl)ethanamine (CID 82038802) is 2-(3,4-dimethoxy-5-phenylphenyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxy-5-phenylphenyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethoxy-5-phenylphenyl)ethanamine is COc1cc(CCN)cc(-c2ccccc2)c1OC.
What is the InChIKey of 2-(3,4-dimethoxy-5-phenylphenyl)ethanamine?
The InChIKey is NAUIICXWYHAQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-18-15-11-12(8-9-17)10-14(16(15)19-2)13-6-4-3-5-7-13/h3-7,10-11H,8-9,17H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxy-5-phenylphenyl)ethanamine?
2-(3,4-dimethoxy-5-phenylphenyl)ethanamine has a molecular weight of 257.33 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxy-5-phenylphenyl)ethanamine is sourced from PubChem (CID 82038802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).