2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine

C14H23NO3 — CID 55146437

IUPAC2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine
SMILESCOCCCOc1ccc(CNCCOC)cc1
InChIInChI=1S/C14H23NO3/c1-16-9-3-10-18-14-6-4-13(5-7-14)12-15-8-11-17-2/h4-7,15H,3,8-12H2,1-2H3
InChIKeyXRJBJGWXMOPDOS-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.84
Rot. Bonds10

About 2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine

2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine (PubChem CID 55146437) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine
PubChem CID55146437
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine
SMILESCOCCCOc1ccc(CNCCOC)cc1
InChIInChI=1S/C14H23NO3/c1-16-9-3-10-18-14-6-4-13(5-7-14)12-15-8-11-17-2/h4-7,15H,3,8-12H2,1-2H3
InChIKeyXRJBJGWXMOPDOS-UHFFFAOYSA-N
XLogP1.84
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]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

2-methoxy-N-[[4-(3-methylsulfonylpropoxy)phenyl]methyl]ethanamine
CID 63190551
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol
CID 79360226
N-[[4-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54797438
N-[[4-(2-ethylbutoxy)phenyl]methyl]-2-methoxyethanamine
CID 82927436
2-methoxy-N-[[4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine
CID 63063741
N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methoxyethanamine
CID 55146817
4-[(2-methoxyethylamino)methyl]aniline
CID 22569430
1-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol
CID 114491978
N-[[4-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]-2-methoxyethanamine
CID 106436928
N-[(4-butoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843608
2-(4-bromophenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 60685867

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine (CID 55146437) is 2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine is COCCCOc1ccc(CNCCOC)cc1.
What is the InChIKey of 2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine?
The InChIKey is XRJBJGWXMOPDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-16-9-3-10-18-14-6-4-13(5-7-14)12-15-8-11-17-2/h4-7,15H,3,8-12H2,1-2H3.
What are the key properties of 2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine?
2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine has a molecular weight of 253.34 g/mol, XLogP of 1.84, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 55146437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).