N-methyl-2-[3-(3-methylphenoxy)propoxy]ethanamine

C13H21NO2 — CID 82353159

IUPACN-methyl-2-[3-(3-methylphenoxy)propoxy]ethanamine
SMILESCNCCOCCCOc1cccc(C)c1
InChIInChI=1S/C13H21NO2/c1-12-5-3-6-13(11-12)16-9-4-8-15-10-7-14-2/h3,5-6,11,14H,4,7-10H2,1-2H3
InChIKeyZIHGEHJUEDRYSI-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.00
Rot. Bonds8

About N-methyl-2-[3-(3-methylphenoxy)propoxy]ethanamine

N-methyl-2-[3-(3-methylphenoxy)propoxy]ethanamine (PubChem CID 82353159) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-methyl-2-[3-(3-methylphenoxy)propoxy]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[3-(3-methylphenoxy)propoxy]ethanamine
PubChem CID82353159
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-methyl-2-[3-(3-methylphenoxy)propoxy]ethanamine
SMILESCNCCOCCCOc1cccc(C)c1
InChIInChI=1S/C13H21NO2/c1-12-5-3-6-13(11-12)16-9-4-8-15-10-7-14-2/h3,5-6,11,14H,4,7-10H2,1-2H3
InChIKeyZIHGEHJUEDRYSI-UHFFFAOYSA-N
XLogP2.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-2-[3-(3-methylphenoxy)propoxy]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-[3-(3-propan-2-ylphenoxy)propoxy]ethanamine
CID 82353979
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
N-ethyl-2-[2-(3-methylphenoxy)ethoxy]ethanamine
CID 82353109
3-(2-methoxyethoxy)-N-[2-(3-methylphenoxy)ethyl]propan-1-amine
CID 103605684
1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene
CID 2284499
1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene
CID 2251707
4-[3-(3-methylphenoxy)propoxy]benzonitrile
CID 43213922
1-(3-iodopropoxy)-3-methylbenzene
CID 64788353
2-[3-(2-chloro-5-methylphenoxy)propoxy]-N-methylethanamine
CID 82353992
N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide
CID 62659653
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(3-methylphenoxy)propoxy]ethanamine?
The IUPAC name of N-methyl-2-[3-(3-methylphenoxy)propoxy]ethanamine (CID 82353159) is N-methyl-2-[3-(3-methylphenoxy)propoxy]ethanamine.
What is the SMILES notation for N-methyl-2-[3-(3-methylphenoxy)propoxy]ethanamine?
The canonical SMILES for N-methyl-2-[3-(3-methylphenoxy)propoxy]ethanamine is CNCCOCCCOc1cccc(C)c1.
What is the InChIKey of N-methyl-2-[3-(3-methylphenoxy)propoxy]ethanamine?
The InChIKey is ZIHGEHJUEDRYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-12-5-3-6-13(11-12)16-9-4-8-15-10-7-14-2/h3,5-6,11,14H,4,7-10H2,1-2H3.
What are the key properties of N-methyl-2-[3-(3-methylphenoxy)propoxy]ethanamine?
N-methyl-2-[3-(3-methylphenoxy)propoxy]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(3-methylphenoxy)propoxy]ethanamine is sourced from PubChem (CID 82353159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).