3-(2-ethoxyethoxy)-N-[2-(2-methylphenyl)ethyl]aniline

C19H25NO2 — CID 54802157

IUPAC3-(2-ethoxyethoxy)-N-[2-(2-methylphenyl)ethyl]aniline
SMILESCCOCCOc1cccc(NCCc2ccccc2C)c1
InChIInChI=1S/C19H25NO2/c1-3-21-13-14-22-19-10-6-9-18(15-19)20-12-11-17-8-5-4-7-16(17)2/h4-10,15,20H,3,11-14H2,1-2H3
InChIKeyAVNFBEYESRIZBV-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.06
Rot. Bonds9

About 3-(2-ethoxyethoxy)-N-[2-(2-methylphenyl)ethyl]aniline

3-(2-ethoxyethoxy)-N-[2-(2-methylphenyl)ethyl]aniline (PubChem CID 54802157) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)-N-[2-(2-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)-N-[2-(2-methylphenyl)ethyl]aniline
PubChem CID54802157
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name3-(2-ethoxyethoxy)-N-[2-(2-methylphenyl)ethyl]aniline
SMILESCCOCCOc1cccc(NCCc2ccccc2C)c1
InChIInChI=1S/C19H25NO2/c1-3-21-13-14-22-19-10-6-9-18(15-19)20-12-11-17-8-5-4-7-16(17)2/h4-10,15,20H,3,11-14H2,1-2H3
InChIKeyAVNFBEYESRIZBV-UHFFFAOYSA-N
XLogP4.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.06
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-methylphenyl)ethyl]-3-propoxyaniline
CID 54800496
N-butyl-3-(2-ethoxyethoxy)aniline
CID 54801731
3-butan-2-yloxy-N-[2-(2-methylphenyl)ethyl]aniline
CID 54803067
N-[2-(2-chlorophenoxy)ethyl]-3-(2-ethoxyethoxy)aniline
CID 54802134
N-[2-(2-tert-butylphenoxy)ethyl]-3-(2-ethoxyethoxy)aniline
CID 54802101
3-(2-ethoxyethoxy)-N-[[3-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54802131
3-(2-ethoxyethoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54801785
3-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54802163
3-(2-ethoxyethoxy)-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54802106
3-[2-(dimethylamino)ethoxy]-N-[(2-methylphenyl)methyl]aniline
CID 43720831
3-(2-ethoxyethoxy)-N-(2-phenoxybutyl)aniline
CID 54802089
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54827581

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxy)-N-[2-(2-methylphenyl)ethyl]aniline?
The IUPAC name of 3-(2-ethoxyethoxy)-N-[2-(2-methylphenyl)ethyl]aniline (CID 54802157) is 3-(2-ethoxyethoxy)-N-[2-(2-methylphenyl)ethyl]aniline.
What is the SMILES notation for 3-(2-ethoxyethoxy)-N-[2-(2-methylphenyl)ethyl]aniline?
The canonical SMILES for 3-(2-ethoxyethoxy)-N-[2-(2-methylphenyl)ethyl]aniline is CCOCCOc1cccc(NCCc2ccccc2C)c1.
What is the InChIKey of 3-(2-ethoxyethoxy)-N-[2-(2-methylphenyl)ethyl]aniline?
The InChIKey is AVNFBEYESRIZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-3-21-13-14-22-19-10-6-9-18(15-19)20-12-11-17-8-5-4-7-16(17)2/h4-10,15,20H,3,11-14H2,1-2H3.
What are the key properties of 3-(2-ethoxyethoxy)-N-[2-(2-methylphenyl)ethyl]aniline?
3-(2-ethoxyethoxy)-N-[2-(2-methylphenyl)ethyl]aniline has a molecular weight of 299.41 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)-N-[2-(2-methylphenyl)ethyl]aniline is sourced from PubChem (CID 54802157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).