3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline

C18H23NO4 — CID 54803079

IUPAC3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline
SMILESCOCCOc1cccc(NCCOc2ccc(OC)cc2)c1
InChIInChI=1S/C18H23NO4/c1-20-12-13-23-18-5-3-4-15(14-18)19-10-11-22-17-8-6-16(21-2)7-9-17/h3-9,14,19H,10-13H2,1-2H3
InChIKeyVBXVBXCADVVUSG-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.21
Rot. Bonds10

About 3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline

3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline (PubChem CID 54803079) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline
PubChem CID54803079
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline
SMILESCOCCOc1cccc(NCCOc2ccc(OC)cc2)c1
InChIInChI=1S/C18H23NO4/c1-20-12-13-23-18-5-3-4-15(14-18)19-10-11-22-17-8-6-16(21-2)7-9-17/h3-9,14,19H,10-13H2,1-2H3
InChIKeyVBXVBXCADVVUSG-UHFFFAOYSA-N
XLogP3.21
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-tert-butylphenoxy)ethyl]-3-(2-methoxyethoxy)aniline
CID 54803038
N-[2-(4-methoxyphenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802827
N-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline
CID 54800838
3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409360
3-(3-methoxyanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031059
N-hexyl-3-(2-methoxyethoxy)aniline
CID 54803081
[3-[2-(4-methoxyphenoxy)ethylamino]phenyl]methanol
CID 110880288
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
3-fluoro-N-[3-(4-methoxyphenoxy)propyl]aniline
CID 82096015
3-[2-(4-methoxyanilino)ethoxy]benzoic acid
CID 103234904
N-(2,2-dimethoxyethyl)-3-(2-methoxyethoxy)aniline
CID 63698128
N-(2-methoxyethyl)-3-(2-methylpropoxy)aniline
CID 83961358

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline?
The IUPAC name of 3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline (CID 54803079) is 3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline?
The canonical SMILES for 3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline is COCCOc1cccc(NCCOc2ccc(OC)cc2)c1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline?
The InChIKey is VBXVBXCADVVUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-20-12-13-23-18-5-3-4-15(14-18)19-10-11-22-17-8-6-16(21-2)7-9-17/h3-9,14,19H,10-13H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline?
3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline has a molecular weight of 317.39 g/mol, XLogP of 3.21, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline is sourced from PubChem (CID 54803079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).