2-(2-methoxyphenoxy)-N-(2-methylpropoxy)ethanamine

C13H21NO3 — CID 82715409

IUPAC2-(2-methoxyphenoxy)-N-(2-methylpropoxy)ethanamine
SMILESCOc1ccccc1OCCNOCC(C)C
InChIInChI=1S/C13H21NO3/c1-11(2)10-17-14-8-9-16-13-7-5-4-6-12(13)15-3/h4-7,11,14H,8-10H2,1-3H3
InChIKeyAXYLUHKGYPCRMH-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.25
Rot. Bonds8

About 2-(2-methoxyphenoxy)-N-(2-methylpropoxy)ethanamine

2-(2-methoxyphenoxy)-N-(2-methylpropoxy)ethanamine (PubChem CID 82715409) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-(2-methylpropoxy)ethanamine.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-(2-methylpropoxy)ethanamine
PubChem CID82715409
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-(2-methoxyphenoxy)-N-(2-methylpropoxy)ethanamine
SMILESCOc1ccccc1OCCNOCC(C)C
InChIInChI=1S/C13H21NO3/c1-11(2)10-17-14-8-9-16-13-7-5-4-6-12(13)15-3/h4-7,11,14H,8-10H2,1-3H3
InChIKeyAXYLUHKGYPCRMH-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyphenoxy)-N-(2-methylpropoxy)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-ethoxyphenoxy)-N-(2-methylpropoxy)ethanamine
CID 82715408
1-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine
CID 62572002
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
1-[2-(2-methoxyphenoxy)ethylamino]-4-methylpentan-2-ol
CID 107152431
2-(2-ethoxyphenoxy)-N-(2-methoxyethoxy)ethanamine
CID 82723021
(2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-propoxypropan-2-ol
CID 125487777
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
5-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol
CID 114147540
(1R)-1-(2-chlorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]ethanamine
CID 81374457
1-(2-ethoxyethoxy)-2-methoxybenzene
CID 57249631

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-(2-methylpropoxy)ethanamine?
The IUPAC name of 2-(2-methoxyphenoxy)-N-(2-methylpropoxy)ethanamine (CID 82715409) is 2-(2-methoxyphenoxy)-N-(2-methylpropoxy)ethanamine.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-(2-methylpropoxy)ethanamine?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-(2-methylpropoxy)ethanamine is COc1ccccc1OCCNOCC(C)C.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-(2-methylpropoxy)ethanamine?
The InChIKey is AXYLUHKGYPCRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-11(2)10-17-14-8-9-16-13-7-5-4-6-12(13)15-3/h4-7,11,14H,8-10H2,1-3H3.
What are the key properties of 2-(2-methoxyphenoxy)-N-(2-methylpropoxy)ethanamine?
2-(2-methoxyphenoxy)-N-(2-methylpropoxy)ethanamine has a molecular weight of 239.31 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-(2-methylpropoxy)ethanamine is sourced from PubChem (CID 82715409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).