N-benzyl-N-(2-ethoxyethyl)-4-methoxyaniline

C18H23NO2 — CID 78826514

IUPACN-benzyl-N-(2-ethoxyethyl)-4-methoxyaniline
SMILESCCOCCN(Cc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C18H23NO2/c1-3-21-14-13-19(15-16-7-5-4-6-8-16)17-9-11-18(20-2)12-10-17/h4-12H,3,13-15H2,1-2H3
InChIKeyFSVUKORKTCSQJU-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.74
Rot. Bonds8

About N-benzyl-N-(2-ethoxyethyl)-4-methoxyaniline

N-benzyl-N-(2-ethoxyethyl)-4-methoxyaniline (PubChem CID 78826514) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-benzyl-N-(2-ethoxyethyl)-4-methoxyaniline.

Molecular Properties

Compound NameN-benzyl-N-(2-ethoxyethyl)-4-methoxyaniline
PubChem CID78826514
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-benzyl-N-(2-ethoxyethyl)-4-methoxyaniline
SMILESCCOCCN(Cc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C18H23NO2/c1-3-21-14-13-19(15-16-7-5-4-6-8-16)17-9-11-18(20-2)12-10-17/h4-12H,3,13-15H2,1-2H3
InChIKeyFSVUKORKTCSQJU-UHFFFAOYSA-N
XLogP3.74
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-(2-ethoxyethyl)aniline
CID 57253291
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
N'-benzyl-N'-(4-ethoxyphenyl)-N,N-dimethylpropane-1,3-diamine
CID 24843292
N-(2-ethoxyethyl)-N-(4-methoxyphenyl)formamide
CID 2038996
2-(N-benzyl-4-methoxyanilino)-N-propylacetamide
CID 18166490
N-benzyl-N-propylaniline
CID 14671265
N-(2,2-dimethylpropyl)-4-methoxy-N-[(4-phenylphenyl)methyl]aniline
CID 138519701
N'-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-N'-phenylethane-1,2-diamine
CID 54566866
N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 138518716
N-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide
CID 112982849
4-methoxy-N-(2-methylpropyl)-N-[(4-phenylphenyl)methyl]aniline
CID 154621372
ethyl 4-[2-(N-benzyl-4-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 46508849

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-ethoxyethyl)-4-methoxyaniline?
The IUPAC name of N-benzyl-N-(2-ethoxyethyl)-4-methoxyaniline (CID 78826514) is N-benzyl-N-(2-ethoxyethyl)-4-methoxyaniline.
What is the SMILES notation for N-benzyl-N-(2-ethoxyethyl)-4-methoxyaniline?
The canonical SMILES for N-benzyl-N-(2-ethoxyethyl)-4-methoxyaniline is CCOCCN(Cc1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of N-benzyl-N-(2-ethoxyethyl)-4-methoxyaniline?
The InChIKey is FSVUKORKTCSQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-21-14-13-19(15-16-7-5-4-6-8-16)17-9-11-18(20-2)12-10-17/h4-12H,3,13-15H2,1-2H3.
What are the key properties of N-benzyl-N-(2-ethoxyethyl)-4-methoxyaniline?
N-benzyl-N-(2-ethoxyethyl)-4-methoxyaniline has a molecular weight of 285.39 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-ethoxyethyl)-4-methoxyaniline is sourced from PubChem (CID 78826514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).