3-[2-(2-methoxyethoxy)phenyl]aniline

C15H17NO2 — CID 104660805

IUPAC3-[2-(2-methoxyethoxy)phenyl]aniline
SMILESCOCCOc1ccccc1-c1cccc(N)c1
InChIInChI=1S/C15H17NO2/c1-17-9-10-18-15-8-3-2-7-14(15)12-5-4-6-13(16)11-12/h2-8,11H,9-10,16H2,1H3
InChIKeyWACWGKSRNLMNEX-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.96
Rot. Bonds5

About 3-[2-(2-methoxyethoxy)phenyl]aniline

3-[2-(2-methoxyethoxy)phenyl]aniline (PubChem CID 104660805) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)phenyl]aniline.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)phenyl]aniline
PubChem CID104660805
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-[2-(2-methoxyethoxy)phenyl]aniline
SMILESCOCCOc1ccccc1-c1cccc(N)c1
InChIInChI=1S/C15H17NO2/c1-17-9-10-18-15-8-3-2-7-14(15)12-5-4-6-13(16)11-12/h2-8,11H,9-10,16H2,1H3
InChIKeyWACWGKSRNLMNEX-UHFFFAOYSA-N
XLogP2.96
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-methoxyethoxy)phenyl]-2-methylaniline
CID 107626878
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
3-[2-(2-methoxyethoxy)phenyl]pyridine
CID 141192201
3-[2-(3-methoxyphenyl)phenoxy]propan-1-amine
CID 170456496
3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline
CID 18003218
3-(3-aminophenyl)-4-ethoxyaniline
CID 68787828
[2-[2-(2-methoxyethoxy)phenyl]phenyl]methanamine
CID 104660838
4-[2-(2-methoxyethoxy)phenyl]benzaldehyde
CID 113438349
2-methoxy-N-[2-(2-phenylphenoxy)ethyl]ethanamine
CID 2299314
2-chloro-4-fluoro-6-[2-(2-methoxyethoxy)phenyl]aniline
CID 107615999
methyl 4-[2-(2-methoxyethoxy)phenyl]benzoate
CID 67257428
[6-[2-(2-methoxyethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568722

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)phenyl]aniline?
The IUPAC name of 3-[2-(2-methoxyethoxy)phenyl]aniline (CID 104660805) is 3-[2-(2-methoxyethoxy)phenyl]aniline.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)phenyl]aniline?
The canonical SMILES for 3-[2-(2-methoxyethoxy)phenyl]aniline is COCCOc1ccccc1-c1cccc(N)c1.
What is the InChIKey of 3-[2-(2-methoxyethoxy)phenyl]aniline?
The InChIKey is WACWGKSRNLMNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-17-9-10-18-15-8-3-2-7-14(15)12-5-4-6-13(16)11-12/h2-8,11H,9-10,16H2,1H3.
What are the key properties of 3-[2-(2-methoxyethoxy)phenyl]aniline?
3-[2-(2-methoxyethoxy)phenyl]aniline has a molecular weight of 243.31 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)phenyl]aniline is sourced from PubChem (CID 104660805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).