2-[5-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine

C13H21NO3 — CID 54935989

IUPAC2-[5-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
SMILESCOCCCOc1ccc(OC)cc1CCN
InChIInChI=1S/C13H21NO3/c1-15-8-3-9-17-13-5-4-12(16-2)10-11(13)6-7-14/h4-5,10H,3,6-9,14H2,1-2H3
InChIKeyHTILBUBXRSWFJC-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.61
Rot. Bonds8

About 2-[5-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine

2-[5-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine (PubChem CID 54935989) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[5-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
PubChem CID54935989
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[5-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
SMILESCOCCCOc1ccc(OC)cc1CCN
InChIInChI=1S/C13H21NO3/c1-15-8-3-9-17-13-5-4-12(16-2)10-11(13)6-7-14/h4-5,10H,3,6-9,14H2,1-2H3
InChIKeyHTILBUBXRSWFJC-UHFFFAOYSA-N
XLogP1.61
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.61
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-[5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanamine
CID 61490558
2-[2-(2-aminoethyl)-4-methoxyphenoxy]acetonitrile
CID 60905751
2-(2-butoxy-4-methoxyphenyl)ethanamine
CID 20985365
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 54935590
2-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103411486
2-[2-(cyclopentylmethoxy)-5-methoxyphenyl]ethanamine
CID 61343767
2-[5-methoxy-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 60906080
2-[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]ethanamine
CID 54931279
2-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 63326313
2-[5-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
CID 61493842
4-methoxy-2-(3-methoxypropoxy)-1-methylbenzene
CID 59177328
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 54935637

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine?
The IUPAC name of 2-[5-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine (CID 54935989) is 2-[5-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[5-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine?
The canonical SMILES for 2-[5-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine is COCCCOc1ccc(OC)cc1CCN.
What is the InChIKey of 2-[5-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine?
The InChIKey is HTILBUBXRSWFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-15-8-3-9-17-13-5-4-12(16-2)10-11(13)6-7-14/h4-5,10H,3,6-9,14H2,1-2H3.
What are the key properties of 2-[5-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine?
2-[5-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine has a molecular weight of 239.31 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine is sourced from PubChem (CID 54935989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).