4-ethoxy-N-[(2-ethoxynaphthalen-1-yl)methyl]aniline

C21H23NO2 — CID 126115732

IUPAC4-ethoxy-N-[(2-ethoxynaphthalen-1-yl)methyl]aniline
SMILESCCOc1ccc(NCc2c(OCC)ccc3ccccc23)cc1
InChIInChI=1S/C21H23NO2/c1-3-23-18-12-10-17(11-13-18)22-15-20-19-8-6-5-7-16(19)9-14-21(20)24-4-2/h5-14,22H,3-4,15H2,1-2H3
InChIKeyDFEYHOSNGFNLEA-UHFFFAOYSA-N
MW321.42 g/mol
LogP5.25
Rot. Bonds7

About 4-ethoxy-N-[(2-ethoxynaphthalen-1-yl)methyl]aniline

4-ethoxy-N-[(2-ethoxynaphthalen-1-yl)methyl]aniline (PubChem CID 126115732) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-ethoxy-N-[(2-ethoxynaphthalen-1-yl)methyl]aniline.

Molecular Properties

Compound Name4-ethoxy-N-[(2-ethoxynaphthalen-1-yl)methyl]aniline
PubChem CID126115732
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name4-ethoxy-N-[(2-ethoxynaphthalen-1-yl)methyl]aniline
SMILESCCOc1ccc(NCc2c(OCC)ccc3ccccc23)cc1
InChIInChI=1S/C21H23NO2/c1-3-23-18-12-10-17(11-13-18)22-15-20-19-8-6-5-7-16(19)9-14-21(20)24-4-2/h5-14,22H,3-4,15H2,1-2H3
InChIKeyDFEYHOSNGFNLEA-UHFFFAOYSA-N
XLogP5.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-ethoxynaphthalen-1-yl)methyl]-4-phenoxyaniline
CID 126118729
N-[(2-ethoxynaphthalen-1-yl)methyl]-4-ethylaniline
CID 126125026
4-ethoxy-N-(naphthalen-1-ylmethyl)aniline
CID 964344
N'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215613
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-phenoxyaniline
CID 126119075
N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine
CID 4722807
1-benzyl-2-ethoxynaphthalene
CID 12064074
N-[(2-ethoxynaphthalen-1-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332522
4-ethoxy-N-[(2-ethylphenyl)methyl]aniline
CID 62391033
N-[(2-ethoxynaphthalen-1-yl)methyl]-1-(furan-2-yl)methanamine
CID 4723209
3-[(2-ethoxynaphthalen-1-yl)methylamino]propanoic acid
CID 102536565
4-[(2-ethoxynaphthalen-1-yl)methylamino]-4-oxobutanoate
CID 9151494

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(2-ethoxynaphthalen-1-yl)methyl]aniline?
The IUPAC name of 4-ethoxy-N-[(2-ethoxynaphthalen-1-yl)methyl]aniline (CID 126115732) is 4-ethoxy-N-[(2-ethoxynaphthalen-1-yl)methyl]aniline.
What is the SMILES notation for 4-ethoxy-N-[(2-ethoxynaphthalen-1-yl)methyl]aniline?
The canonical SMILES for 4-ethoxy-N-[(2-ethoxynaphthalen-1-yl)methyl]aniline is CCOc1ccc(NCc2c(OCC)ccc3ccccc23)cc1.
What is the InChIKey of 4-ethoxy-N-[(2-ethoxynaphthalen-1-yl)methyl]aniline?
The InChIKey is DFEYHOSNGFNLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-3-23-18-12-10-17(11-13-18)22-15-20-19-8-6-5-7-16(19)9-14-21(20)24-4-2/h5-14,22H,3-4,15H2,1-2H3.
What are the key properties of 4-ethoxy-N-[(2-ethoxynaphthalen-1-yl)methyl]aniline?
4-ethoxy-N-[(2-ethoxynaphthalen-1-yl)methyl]aniline has a molecular weight of 321.42 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(2-ethoxynaphthalen-1-yl)methyl]aniline is sourced from PubChem (CID 126115732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).