N-benzyl-N-(2-ethoxyethyl)aniline

C17H21NO — CID 57253291

IUPACN-benzyl-N-(2-ethoxyethyl)aniline
SMILESCCOCCN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NO/c1-2-19-14-13-18(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16/h3-12H,2,13-15H2,1H3
InChIKeyPKGNQXAEDOGASB-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.73
Rot. Bonds7

About N-benzyl-N-(2-ethoxyethyl)aniline

N-benzyl-N-(2-ethoxyethyl)aniline (PubChem CID 57253291) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-benzyl-N-(2-ethoxyethyl)aniline.

Molecular Properties

Compound NameN-benzyl-N-(2-ethoxyethyl)aniline
PubChem CID57253291
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-benzyl-N-(2-ethoxyethyl)aniline
SMILESCCOCCN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NO/c1-2-19-14-13-18(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16/h3-12H,2,13-15H2,1H3
InChIKeyPKGNQXAEDOGASB-UHFFFAOYSA-N
XLogP3.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-(2-ethoxyethyl)-4-methoxyaniline
CID 78826514
N-benzyl-N-propylaniline
CID 14671265
N,N-dibenzylaniline
CID 139071697
N-benzyl-10-ethoxy-N-(8-ethoxyoctyl)decan-1-amine
CID 155672895
3-(N-benzylanilino)-N,N-diethylpropanamide
CID 109030661
N'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine
CID 107367178
[4-[bis(2-ethoxyethyl)amino]phenyl]methanol
CID 82951073
2-(N-benzylanilino)ethyl-trimethylazanium iodide
CID 14450569
3-(N-benzylanilino)propyl acetate
CID 54183872
2-[2-[N-[2-(2-methylsulfonyloxyethoxy)ethyl]anilino]ethoxy]ethyl methanesulfonate
CID 89334381
2-(N-benzylanilino)ethyl-diethyl-methylazanium iodide
CID 18528258
2-[4-[bis[2-(hydroxymethoxy)ethyl]amino]-N-(2-ethoxyethyl)anilino]ethoxymethanol
CID 158626212

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-ethoxyethyl)aniline?
The IUPAC name of N-benzyl-N-(2-ethoxyethyl)aniline (CID 57253291) is N-benzyl-N-(2-ethoxyethyl)aniline.
What is the SMILES notation for N-benzyl-N-(2-ethoxyethyl)aniline?
The canonical SMILES for N-benzyl-N-(2-ethoxyethyl)aniline is CCOCCN(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-N-(2-ethoxyethyl)aniline?
The InChIKey is PKGNQXAEDOGASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-19-14-13-18(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16/h3-12H,2,13-15H2,1H3.
What are the key properties of N-benzyl-N-(2-ethoxyethyl)aniline?
N-benzyl-N-(2-ethoxyethyl)aniline has a molecular weight of 255.36 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-ethoxyethyl)aniline is sourced from PubChem (CID 57253291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).