2-[2-[3-(2-methoxyethyl)phenyl]phenyl]-N-methylethanamine

C18H23NO — CID 167239851

IUPAC2-[2-[3-(2-methoxyethyl)phenyl]phenyl]-N-methylethanamine
SMILESCNCCc1ccccc1-c1cccc(CCOC)c1
InChIInChI=1S/C18H23NO/c1-19-12-10-16-7-3-4-9-18(16)17-8-5-6-15(14-17)11-13-20-2/h3-9,14,19H,10-13H2,1-2H3
InChIKeyDWMYBJFRJPKGBM-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.30
Rot. Bonds7

About 2-[2-[3-(2-methoxyethyl)phenyl]phenyl]-N-methylethanamine

2-[2-[3-(2-methoxyethyl)phenyl]phenyl]-N-methylethanamine (PubChem CID 167239851) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[2-[3-(2-methoxyethyl)phenyl]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-[3-(2-methoxyethyl)phenyl]phenyl]-N-methylethanamine
PubChem CID167239851
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-[2-[3-(2-methoxyethyl)phenyl]phenyl]-N-methylethanamine
SMILESCNCCc1ccccc1-c1cccc(CCOC)c1
InChIInChI=1S/C18H23NO/c1-19-12-10-16-7-3-4-9-18(16)17-8-5-6-15(14-17)11-13-20-2/h3-9,14,19H,10-13H2,1-2H3
InChIKeyDWMYBJFRJPKGBM-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2-methoxyethyl)phenyl]phenyl]-N-methylethanamine?
The IUPAC name of 2-[2-[3-(2-methoxyethyl)phenyl]phenyl]-N-methylethanamine (CID 167239851) is 2-[2-[3-(2-methoxyethyl)phenyl]phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[2-[3-(2-methoxyethyl)phenyl]phenyl]-N-methylethanamine?
The canonical SMILES for 2-[2-[3-(2-methoxyethyl)phenyl]phenyl]-N-methylethanamine is CNCCc1ccccc1-c1cccc(CCOC)c1.
What is the InChIKey of 2-[2-[3-(2-methoxyethyl)phenyl]phenyl]-N-methylethanamine?
The InChIKey is DWMYBJFRJPKGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-19-12-10-16-7-3-4-9-18(16)17-8-5-6-15(14-17)11-13-20-2/h3-9,14,19H,10-13H2,1-2H3.
What are the key properties of 2-[2-[3-(2-methoxyethyl)phenyl]phenyl]-N-methylethanamine?
2-[2-[3-(2-methoxyethyl)phenyl]phenyl]-N-methylethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2-methoxyethyl)phenyl]phenyl]-N-methylethanamine is sourced from PubChem (CID 167239851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).