N-(2-methoxyethyl)-2-(4-methoxy-3-methylphenyl)ethanamine

C13H21NO2 — CID 64867078

IUPACN-(2-methoxyethyl)-2-(4-methoxy-3-methylphenyl)ethanamine
SMILESCOCCNCCc1ccc(OC)c(C)c1
InChIInChI=1S/C13H21NO2/c1-11-10-12(4-5-13(11)16-3)6-7-14-8-9-15-2/h4-5,10,14H,6-9H2,1-3H3
InChIKeyNRYYVSWEJHZZML-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.78
Rot. Bonds7

About N-(2-methoxyethyl)-2-(4-methoxy-3-methylphenyl)ethanamine

N-(2-methoxyethyl)-2-(4-methoxy-3-methylphenyl)ethanamine (PubChem CID 64867078) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(4-methoxy-3-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(4-methoxy-3-methylphenyl)ethanamine
PubChem CID64867078
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-(2-methoxyethyl)-2-(4-methoxy-3-methylphenyl)ethanamine
SMILESCOCCNCCc1ccc(OC)c(C)c1
InChIInChI=1S/C13H21NO2/c1-11-10-12(4-5-13(11)16-3)6-7-14-8-9-15-2/h4-5,10,14H,6-9H2,1-3H3
InChIKeyNRYYVSWEJHZZML-UHFFFAOYSA-N
XLogP1.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.78
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-methoxyethyl)-5-(4-methoxy-3-methylphenyl)pentan-1-amine
CID 65305186
N-(hydrazinylmethyl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 115261071
N-ethyl-2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethanamine
CID 65303073
1-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine
CID 115256879
N-ethyl-3-(4-methoxy-3-methylphenyl)propan-1-amine
CID 98014025
3-[2-(4-methoxy-3-methylphenyl)ethylamino]-2,2-dimethylpropanenitrile
CID 115234199
N-[2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethyl]-2-methylpropan-1-amine
CID 65303024
2-(4-methoxy-3-methylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine
CID 115244866
2-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]-3-methylbutan-1-ol
CID 115252188
N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide
CID 115175869
5-ethyl-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyrimidin-2-amine
CID 59643398
3-amino-4-[2-(4-methoxy-3-methylphenyl)ethylamino]butanoic acid
CID 115241806

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(4-methoxy-3-methylphenyl)ethanamine?
The IUPAC name of N-(2-methoxyethyl)-2-(4-methoxy-3-methylphenyl)ethanamine (CID 64867078) is N-(2-methoxyethyl)-2-(4-methoxy-3-methylphenyl)ethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-2-(4-methoxy-3-methylphenyl)ethanamine?
The canonical SMILES for N-(2-methoxyethyl)-2-(4-methoxy-3-methylphenyl)ethanamine is COCCNCCc1ccc(OC)c(C)c1.
What is the InChIKey of N-(2-methoxyethyl)-2-(4-methoxy-3-methylphenyl)ethanamine?
The InChIKey is NRYYVSWEJHZZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11-10-12(4-5-13(11)16-3)6-7-14-8-9-15-2/h4-5,10,14H,6-9H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-2-(4-methoxy-3-methylphenyl)ethanamine?
N-(2-methoxyethyl)-2-(4-methoxy-3-methylphenyl)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(4-methoxy-3-methylphenyl)ethanamine is sourced from PubChem (CID 64867078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).