3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine

C17H21NO2 — CID 4500

IUPAC3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine
SMILESCNCCC(Oc1ccccc1OC)c1ccccc1
InChIInChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3
InChIKeyITJNARMNRKSWTA-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.42
Rot. Bonds7

About 3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine

3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine (PubChem CID 4500) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine
PubChem CID4500
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine
SMILESCNCCC(Oc1ccccc1OC)c1ccccc1
InChIInChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3
InChIKeyITJNARMNRKSWTA-UHFFFAOYSA-N
XLogP3.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine (CID 4500) is 3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine is CNCCC(Oc1ccccc1OC)c1ccccc1.
What is the InChIKey of 3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is ITJNARMNRKSWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3.
What are the key properties of 3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine?
3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 4500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).