2-ethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline

C19H25NO2 — CID 54798096

IUPAC2-ethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
SMILESCCOc1ccccc1NCCOc1ccccc1C(C)C
InChIInChI=1S/C19H25NO2/c1-4-21-19-12-8-6-10-17(19)20-13-14-22-18-11-7-5-9-16(18)15(2)3/h5-12,15,20H,4,13-14H2,1-3H3
InChIKeyGKAZBJBFJHWNFO-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.70
Rot. Bonds8

About 2-ethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline

2-ethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline (PubChem CID 54798096) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline.

Molecular Properties

Compound Name2-ethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
PubChem CID54798096
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name2-ethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
SMILESCCOc1ccccc1NCCOc1ccccc1C(C)C
InChIInChI=1S/C19H25NO2/c1-4-21-19-12-8-6-10-17(19)20-13-14-22-18-11-7-5-9-16(18)15(2)3/h5-12,15,20H,4,13-14H2,1-3H3
InChIKeyGKAZBJBFJHWNFO-UHFFFAOYSA-N
XLogP4.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.70
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-butan-2-ylphenoxy)ethyl]-2-ethoxyaniline
CID 54798092
N-[2-(2-butan-2-ylphenoxy)ethyl]-2-butoxyaniline
CID 54801693
N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54796175
2-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 54853093
N-[2-(4-bromophenoxy)ethyl]-2-ethoxyaniline
CID 63488256
3-(2-propan-2-ylphenoxy)propylhydrazine
CID 94681406
2-ethoxy-N-[4-(2-methylphenoxy)butyl]aniline
CID 82096107
2-ethoxy-N-(2-fluoroethyl)aniline
CID 80699443
2-amino-3-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide
CID 119784411
1-(2-fluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972279
N-(2-phenoxyethyl)-2-propan-2-ylaniline
CID 39357817
3-(2-ethoxyethoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54801785

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline?
The IUPAC name of 2-ethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline (CID 54798096) is 2-ethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline.
What is the SMILES notation for 2-ethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline?
The canonical SMILES for 2-ethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline is CCOc1ccccc1NCCOc1ccccc1C(C)C.
What is the InChIKey of 2-ethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline?
The InChIKey is GKAZBJBFJHWNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-4-21-19-12-8-6-10-17(19)20-13-14-22-18-11-7-5-9-16(18)15(2)3/h5-12,15,20H,4,13-14H2,1-3H3.
What are the key properties of 2-ethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline?
2-ethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline has a molecular weight of 299.41 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline is sourced from PubChem (CID 54798096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).