1-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine

C13H21NO3 — CID 62572002

IUPAC1-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine
SMILESCOCC(C)NCCOc1ccccc1OC
InChIInChI=1S/C13H21NO3/c1-11(10-15-2)14-8-9-17-13-7-5-4-6-12(13)16-3/h4-7,11,14H,8-10H2,1-3H3
InChIKeyVOWUARYSTUUWJW-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.70
Rot. Bonds8

About 1-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine

1-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine (PubChem CID 62572002) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine
PubChem CID62572002
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine
SMILESCOCC(C)NCCOc1ccccc1OC
InChIInChI=1S/C13H21NO3/c1-11(10-15-2)14-8-9-17-13-7-5-4-6-12(13)16-3/h4-7,11,14H,8-10H2,1-3H3
InChIKeyVOWUARYSTUUWJW-UHFFFAOYSA-N
XLogP1.70
TPSA39.72 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 ≤ 51.70
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

1-methoxy-N-[2-(2-methylphenoxy)ethyl]propan-2-amine
CID 60688548
2-(2-methoxyphenoxy)-N-(2-methylpropoxy)ethanamine
CID 82715409
(1R)-1-(2-chlorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]ethanamine
CID 81374457
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride
CID 117067322
2-(2-methoxyphenoxy)-N-methylethanamine;hydrochloride
CID 19749083
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759
N-[2-(2,4-dibromophenoxy)ethyl]-1-methoxypropan-2-amine
CID 55093203
2-[2-(2-methoxyphenoxy)ethylamino]-N-propylpropanamide
CID 60676693
N-[2-(2-methoxyphenoxy)ethyl]-1-(4-methoxy-3-propan-2-ylsulfonylphenyl)propan-2-amine
CID 14676142
N-[2-(4-bromo-2-methylphenoxy)ethyl]-1-methoxypropan-2-amine
CID 55162498
N-[2-(4-bromophenoxy)ethyl]-1-methoxypropan-2-amine
CID 60688516
(2S)-1-methoxy-N-[2-(2-methoxynaphthalen-1-yl)ethyl]propan-2-amine
CID 95127622

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine (CID 62572002) is 1-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine is COCC(C)NCCOc1ccccc1OC.
What is the InChIKey of 1-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine?
The InChIKey is VOWUARYSTUUWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-11(10-15-2)14-8-9-17-13-7-5-4-6-12(13)16-3/h4-7,11,14H,8-10H2,1-3H3.
What are the key properties of 1-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine?
1-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine has a molecular weight of 239.31 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine is sourced from PubChem (CID 62572002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).