N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine

C13H21NO2 — CID 39246100

IUPACN-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(OCCOC)c1
InChIInChI=1S/C13H21NO2/c1-3-7-14-11-12-5-4-6-13(10-12)16-9-8-15-2/h4-6,10,14H,3,7-9,11H2,1-2H3
InChIKeyYESGOEAZLDTJNJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.21
Rot. Bonds8

About N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine

N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine (PubChem CID 39246100) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
PubChem CID39246100
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(OCCOC)c1
InChIInChI=1S/C13H21NO2/c1-3-7-14-11-12-5-4-6-13(10-12)16-9-8-15-2/h4-6,10,14H,3,7-9,11H2,1-2H3
InChIKeyYESGOEAZLDTJNJ-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-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

Related Compounds

N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62455235
methyl 3-[3-(propylaminomethyl)phenoxy]propanoate
CID 63949501
N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
CID 104560645
5-[3-(propylaminomethyl)phenoxy]pentan-1-ol
CID 62227082
N-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62419119
N-[[3-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]methyl]propan-1-amine
CID 62458587
N-[[3-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 55074388
N-[(3-pent-4-ynoxyphenyl)methyl]propan-1-amine
CID 113374110
methyl 3-[(3-propoxyphenyl)methylamino]propanoate
CID 54901654
N-[(3-pentoxyphenyl)methyl]hexadecan-1-amine
CID 54847860
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
methyl 4-[3-[(2-methoxyethylamino)methyl]phenoxy]butanoate
CID 63056407

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine (CID 39246100) is N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine is CCCNCc1cccc(OCCOC)c1.
What is the InChIKey of N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is YESGOEAZLDTJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-7-14-11-12-5-4-6-13(10-12)16-9-8-15-2/h4-6,10,14H,3,7-9,11H2,1-2H3.
What are the key properties of N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine?
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 39246100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).