N-(2-methoxyethoxy)-2-(4-methoxyphenyl)ethanamine

C12H19NO3 — CID 82722149

IUPACN-(2-methoxyethoxy)-2-(4-methoxyphenyl)ethanamine
SMILESCOCCONCCc1ccc(OC)cc1
InChIInChI=1S/C12H19NO3/c1-14-9-10-16-13-8-7-11-3-5-12(15-2)6-4-11/h3-6,13H,7-10H2,1-2H3
InChIKeyDONVKJSZKUBTKV-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.41
Rot. Bonds8

About N-(2-methoxyethoxy)-2-(4-methoxyphenyl)ethanamine

N-(2-methoxyethoxy)-2-(4-methoxyphenyl)ethanamine (PubChem CID 82722149) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-2-(4-methoxyphenyl)ethanamine
PubChem CID82722149
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC NameN-(2-methoxyethoxy)-2-(4-methoxyphenyl)ethanamine
SMILESCOCCONCCc1ccc(OC)cc1
InChIInChI=1S/C12H19NO3/c1-14-9-10-16-13-8-7-11-3-5-12(15-2)6-4-11/h3-6,13H,7-10H2,1-2H3
InChIKeyDONVKJSZKUBTKV-UHFFFAOYSA-N
XLogP1.41
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.41
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'}

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Related Compounds

4-methoxy-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 65447103
1-methoxy-4-(4-methoxybutyl)benzene
CID 18345059
N-(2-ethoxyethyl)-2-(4-methoxyphenyl)ethanamine
CID 43387940
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732
ethane;1-methoxy-4-(4-methoxybutyl)benzene
CID 143283222
2-[4-(3-methoxypropyl)phenyl]-N-methylethanamine
CID 117108047
N-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 43087093
N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclopentan-1-amine
CID 65447286
N-[2-(4-methoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 27548428
N'-[2-(4-methoxyphenyl)ethyl]methanediamine
CID 115226003
N-[2-(2-chloroethoxy)ethyl]-2-(4-methoxyphenyl)ethanamine
CID 65446138
2-(4-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid
CID 69301984

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of N-(2-methoxyethoxy)-2-(4-methoxyphenyl)ethanamine (CID 82722149) is N-(2-methoxyethoxy)-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-(2-methoxyethoxy)-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for N-(2-methoxyethoxy)-2-(4-methoxyphenyl)ethanamine is COCCONCCc1ccc(OC)cc1.
What is the InChIKey of N-(2-methoxyethoxy)-2-(4-methoxyphenyl)ethanamine?
The InChIKey is DONVKJSZKUBTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-14-9-10-16-13-8-7-11-3-5-12(15-2)6-4-11/h3-6,13H,7-10H2,1-2H3.
What are the key properties of N-(2-methoxyethoxy)-2-(4-methoxyphenyl)ethanamine?
N-(2-methoxyethoxy)-2-(4-methoxyphenyl)ethanamine has a molecular weight of 225.29 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 82722149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).