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

C14H23NO3 — CID 55148747

IUPAC2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine
SMILESCOCCCOc1ccccc1CNCCOC
InChIInChI=1S/C14H23NO3/c1-16-9-5-10-18-14-7-4-3-6-13(14)12-15-8-11-17-2/h3-4,6-7,15H,5,8-12H2,1-2H3
InChIKeyOWNUSDBHIUUAID-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.84
Rot. Bonds10

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

2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine (PubChem CID 55148747) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine
PubChem CID55148747
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine
SMILESCOCCCOc1ccccc1CNCCOC
InChIInChI=1S/C14H23NO3/c1-16-9-5-10-18-14-7-4-3-6-13(14)12-15-8-11-17-2/h3-4,6-7,15H,5,8-12H2,1-2H3
InChIKeyOWNUSDBHIUUAID-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'}

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Related Compounds

2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine
CID 63485820
2-methoxy-N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 83156925
methyl 3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 63949511
2-methoxy-N-[[2-(2-methoxyphenoxy)phenyl]methyl]ethanamine
CID 63071959
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 4720382
N-[[2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54797439
2-methoxy-N-[[2-(2-pyridin-2-ylethoxy)phenyl]methyl]ethanamine
CID 63058176
3-(2-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 55093398
N-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62457882
3-[2-[(2-methoxyethylamino)methyl]phenoxy]propane-1,2-diol
CID 82850622
3-[[2-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol
CID 114491988
2-methoxy-N-[[2-(2-methylidenebutoxy)phenyl]methyl]ethanamine
CID 66047570

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine (CID 55148747) is 2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine is COCCCOc1ccccc1CNCCOC.
What is the InChIKey of 2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine?
The InChIKey is OWNUSDBHIUUAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-16-9-5-10-18-14-7-4-3-6-13(14)12-15-8-11-17-2/h3-4,6-7,15H,5,8-12H2,1-2H3.
What are the key properties of 2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine?
2-methoxy-N-[[2-(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-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 55148747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).