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

C13H21NO3 — CID 54935375

IUPAC2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
SMILESCOCCCOc1c(CCN)cccc1OC
InChIInChI=1S/C13H21NO3/c1-15-9-4-10-17-13-11(7-8-14)5-3-6-12(13)16-2/h3,5-6H,4,7-10,14H2,1-2H3
InChIKeyZTQDHSFXZLTACI-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.61
Rot. Bonds8

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

2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine (PubChem CID 54935375) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
PubChem CID54935375
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
SMILESCOCCCOc1c(CCN)cccc1OC
InChIInChI=1S/C13H21NO3/c1-15-9-4-10-17-13-11(7-8-14)5-3-6-12(13)16-2/h3,5-6H,4,7-10,14H2,1-2H3
InChIKeyZTQDHSFXZLTACI-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-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104648792
2-[3-ethoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935377
2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 20993640
1-(bromomethyl)-3-methoxy-2-(3-methoxypropoxy)benzene
CID 60926789
2-[2-(4-methoxybutoxy)-3-methylphenyl]ethanamine
CID 104648854
2-[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20986801
2-[3-methoxy-2-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine
CID 22680824
2-[2-[2-(3-methoxypropoxy)ethoxy]-3-methylphenyl]ethanamine
CID 103181898
2-[3-methoxy-2-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine
CID 22680814
2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 22680917
3-(2,6-dimethoxyphenoxy)propan-1-amine
CID 14025832
2-(3-ethoxy-2-pentoxyphenyl)ethanamine
CID 54930821

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine (CID 54935375) is 2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine is COCCCOc1c(CCN)cccc1OC.
What is the InChIKey of 2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine?
The InChIKey is ZTQDHSFXZLTACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-15-9-4-10-17-13-11(7-8-14)5-3-6-12(13)16-2/h3,5-6H,4,7-10,14H2,1-2H3.
What are the key properties of 2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine?
2-[3-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-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine is sourced from PubChem (CID 54935375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).