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

C13H21NO2 — CID 43387940

IUPACN-(2-ethoxyethyl)-2-(4-methoxyphenyl)ethanamine
SMILESCCOCCNCCc1ccc(OC)cc1
InChIInChI=1S/C13H21NO2/c1-3-16-11-10-14-9-8-12-4-6-13(15-2)7-5-12/h4-7,14H,3,8-11H2,1-2H3
InChIKeyVRMOBLNORNUPJZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.86
Rot. Bonds8

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

N-(2-ethoxyethyl)-2-(4-methoxyphenyl)ethanamine (PubChem CID 43387940) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2-(4-methoxyphenyl)ethanamine
PubChem CID43387940
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-(2-ethoxyethyl)-2-(4-methoxyphenyl)ethanamine
SMILESCCOCCNCCc1ccc(OC)cc1
InChIInChI=1S/C13H21NO2/c1-3-16-11-10-14-9-8-12-4-6-13(15-2)7-5-12/h4-7,14H,3,8-11H2,1-2H3
InChIKeyVRMOBLNORNUPJZ-UHFFFAOYSA-N
XLogP1.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chloroethoxy)ethyl]-2-(4-methoxyphenyl)ethanamine
CID 65446138
N-(2-bromoethyl)-2-(4-methoxyphenyl)ethanamine
CID 114505272
1-(4-ethoxybutyl)-4-methoxybenzene
CID 54183977
N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine
CID 23394676
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 65447103
N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine
CID 43089137
2-[2-(4-methoxyphenyl)ethylamino]ethyl carbamate
CID 83210163
N-[2-(4-butylphenoxy)ethyl]-2-ethoxyethanamine
CID 115493382
N'-[2-(4-methoxyphenyl)ethyl]methanediamine
CID 115226003
N-(3-ethoxypropyl)-N'-[2-(4-methoxyphenyl)ethyl]oxamide
CID 108505219
2-[2-(4-methoxyphenyl)ethylamino]acetonitrile
CID 28574147
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 106844226

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of N-(2-ethoxyethyl)-2-(4-methoxyphenyl)ethanamine (CID 43387940) is N-(2-ethoxyethyl)-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-(2-ethoxyethyl)-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for N-(2-ethoxyethyl)-2-(4-methoxyphenyl)ethanamine is CCOCCNCCc1ccc(OC)cc1.
What is the InChIKey of N-(2-ethoxyethyl)-2-(4-methoxyphenyl)ethanamine?
The InChIKey is VRMOBLNORNUPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-16-11-10-14-9-8-12-4-6-13(15-2)7-5-12/h4-7,14H,3,8-11H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-2-(4-methoxyphenyl)ethanamine?
N-(2-ethoxyethyl)-2-(4-methoxyphenyl)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 43387940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).