N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine

C13H21NO2 — CID 43177275

IUPACN-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine
SMILESCCC(NCCOC)c1ccc(OC)cc1
InChIInChI=1S/C13H21NO2/c1-4-13(14-9-10-15-2)11-5-7-12(16-3)8-6-11/h5-8,13-14H,4,9-10H2,1-3H3
InChIKeyAFBZBFQKORWMOO-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.38
Rot. Bonds7

About N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine

N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine (PubChem CID 43177275) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine
PubChem CID43177275
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine
SMILESCCC(NCCOC)c1ccc(OC)cc1
InChIInChI=1S/C13H21NO2/c1-4-13(14-9-10-15-2)11-5-7-12(16-3)8-6-11/h5-8,13-14H,4,9-10H2,1-3H3
InChIKeyAFBZBFQKORWMOO-UHFFFAOYSA-N
XLogP2.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)propylamino]propanamide
CID 115711958
1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43823991
N-(3-ethenoxypropyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43207314
1-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 63828903
1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 43200660
1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine
CID 60697408
N-(2-cyclohexyloxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 63826934
5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol
CID 113350455
N-(3-ethylsulfanylpropyl)-1-(4-methoxyphenyl)propan-1-amine
CID 115899650
4,4,4-trifluoro-N-[1-(4-methoxyphenyl)propyl]butan-1-amine
CID 81342777
N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43078211
4-methoxy-1-[1-(4-methoxyphenyl)propylamino]-2-methylbutan-2-ol
CID 103784224

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine (CID 43177275) is N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine is CCC(NCCOC)c1ccc(OC)cc1.
What is the InChIKey of N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine?
The InChIKey is AFBZBFQKORWMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-13(14-9-10-15-2)11-5-7-12(16-3)8-6-11/h5-8,13-14H,4,9-10H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine?
N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 43177275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).