4-[2-[(4-methoxyphenyl)methoxy]ethoxy]aniline

C16H19NO3 — CID 43174442

IUPAC4-[2-[(4-methoxyphenyl)methoxy]ethoxy]aniline
SMILESCOc1ccc(COCCOc2ccc(N)cc2)cc1
InChIInChI=1S/C16H19NO3/c1-18-15-6-2-13(3-7-15)12-19-10-11-20-16-8-4-14(17)5-9-16/h2-9H,10-12,17H2,1H3
InChIKeyLAEZFIDCQYAVFX-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.87
Rot. Bonds7

About 4-[2-[(4-methoxyphenyl)methoxy]ethoxy]aniline

4-[2-[(4-methoxyphenyl)methoxy]ethoxy]aniline (PubChem CID 43174442) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-[2-[(4-methoxyphenyl)methoxy]ethoxy]aniline.

Molecular Properties

Compound Name4-[2-[(4-methoxyphenyl)methoxy]ethoxy]aniline
PubChem CID43174442
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name4-[2-[(4-methoxyphenyl)methoxy]ethoxy]aniline
SMILESCOc1ccc(COCCOc2ccc(N)cc2)cc1
InChIInChI=1S/C16H19NO3/c1-18-15-6-2-13(3-7-15)12-19-10-11-20-16-8-4-14(17)5-9-16/h2-9H,10-12,17H2,1H3
InChIKeyLAEZFIDCQYAVFX-UHFFFAOYSA-N
XLogP2.87
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732
[3-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]methanamine
CID 43254310
4-(2-ethoxyethoxy)aniline
CID 16641299
1-methoxy-4-(2-methylsulfanyloxyethoxymethyl)benzene
CID 143732018
4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387
(3S,4S)-1,6-bis[(4-methoxyphenyl)methoxy]hexane-3,4-diol
CID 10894444
1,4-bis(2-phenoxyethoxymethyl)benzene
CID 19801574
4-[2-[(3-bromophenyl)methoxy]ethoxy]aniline
CID 82827978
2-[(4-methoxyphenyl)methoxy]-N-(2-phenoxyethyl)ethanamine
CID 166769212
4-[(3,5-dimethoxyphenoxy)methyl]aniline
CID 43589819
ethane;4-methoxyaniline
CID 144603339
4-methoxyaniline;hydrobromide
CID 518270

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-methoxyphenyl)methoxy]ethoxy]aniline?
The IUPAC name of 4-[2-[(4-methoxyphenyl)methoxy]ethoxy]aniline (CID 43174442) is 4-[2-[(4-methoxyphenyl)methoxy]ethoxy]aniline.
What is the SMILES notation for 4-[2-[(4-methoxyphenyl)methoxy]ethoxy]aniline?
The canonical SMILES for 4-[2-[(4-methoxyphenyl)methoxy]ethoxy]aniline is COc1ccc(COCCOc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[2-[(4-methoxyphenyl)methoxy]ethoxy]aniline?
The InChIKey is LAEZFIDCQYAVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-18-15-6-2-13(3-7-15)12-19-10-11-20-16-8-4-14(17)5-9-16/h2-9H,10-12,17H2,1H3.
What are the key properties of 4-[2-[(4-methoxyphenyl)methoxy]ethoxy]aniline?
4-[2-[(4-methoxyphenyl)methoxy]ethoxy]aniline has a molecular weight of 273.33 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-methoxyphenyl)methoxy]ethoxy]aniline is sourced from PubChem (CID 43174442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).