3-(2-methoxyphenoxy)-N-methylpropan-1-amine

C11H17NO2 — CID 6486607

IUPAC3-(2-methoxyphenoxy)-N-methylpropan-1-amine
SMILESCNCCCOc1ccccc1OC
InChIInChI=1S/C11H17NO2/c1-12-8-5-9-14-11-7-4-3-6-10(11)13-2/h3-4,6-7,12H,5,8-9H2,1-2H3
InChIKeyNAEGOUYWCNHQGW-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.68
Rot. Bonds6

About 3-(2-methoxyphenoxy)-N-methylpropan-1-amine

3-(2-methoxyphenoxy)-N-methylpropan-1-amine (PubChem CID 6486607) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyphenoxy)-N-methylpropan-1-amine
PubChem CID6486607
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-(2-methoxyphenoxy)-N-methylpropan-1-amine
SMILESCNCCCOc1ccccc1OC
InChIInChI=1S/C11H17NO2/c1-12-8-5-9-14-11-7-4-3-6-10(11)13-2/h3-4,6-7,12H,5,8-9H2,1-2H3
InChIKeyNAEGOUYWCNHQGW-UHFFFAOYSA-N
XLogP1.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2-methoxyphenoxy)-N-methylpropan-1-amine 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 3-(2-methoxyphenoxy)-N-methylpropan-1-amine?
The IUPAC name of 3-(2-methoxyphenoxy)-N-methylpropan-1-amine (CID 6486607) is 3-(2-methoxyphenoxy)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2-methoxyphenoxy)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2-methoxyphenoxy)-N-methylpropan-1-amine is CNCCCOc1ccccc1OC.
What is the InChIKey of 3-(2-methoxyphenoxy)-N-methylpropan-1-amine?
The InChIKey is NAEGOUYWCNHQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-12-8-5-9-14-11-7-4-3-6-10(11)13-2/h3-4,6-7,12H,5,8-9H2,1-2H3.
What are the key properties of 3-(2-methoxyphenoxy)-N-methylpropan-1-amine?
3-(2-methoxyphenoxy)-N-methylpropan-1-amine has a molecular weight of 195.26 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 6486607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).