N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]ethanamine

C13H21NO3 — CID 43471950

IUPACN-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OC)c1OCCOC
InChIInChI=1S/C13H21NO3/c1-4-14-10-11-6-5-7-12(16-3)13(11)17-9-8-15-2/h5-7,14H,4,8-10H2,1-3H3
InChIKeyNJBJROLBEYHPJO-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.83
Rot. Bonds8

About N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]ethanamine

N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]ethanamine (PubChem CID 43471950) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]ethanamine
PubChem CID43471950
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OC)c1OCCOC
InChIInChI=1S/C13H21NO3/c1-4-14-10-11-6-5-7-12(16-3)13(11)17-9-8-15-2/h5-7,14H,4,8-10H2,1-3H3
InChIKeyNJBJROLBEYHPJO-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
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-[2-(ethylaminomethyl)-6-methoxyphenoxy]ethanol
CID 43471970
N-[[2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]ethanamine
CID 81106283
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54847674
N-[[3-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106449862
N-[(2-chlorophenyl)methyl]-1-[3-methoxy-2-(2-methoxyethoxy)phenyl]methanamine
CID 54849158
N-[[3-methoxy-2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 83152328
2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine
CID 39356672
N-ethyl-2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 63056273
N-[[2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]ethanamine
CID 43560143
1-[2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol
CID 60888804
2-methoxy-N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849799
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylaniline
CID 39425332

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]ethanamine (CID 43471950) is N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]ethanamine is CCNCc1cccc(OC)c1OCCOC.
What is the InChIKey of N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]ethanamine?
The InChIKey is NJBJROLBEYHPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-4-14-10-11-6-5-7-12(16-3)13(11)17-9-8-15-2/h5-7,14H,4,8-10H2,1-3H3.
What are the key properties of N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]ethanamine?
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]ethanamine has a molecular weight of 239.31 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 43471950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).