N-benzyl-4-ethylaniline

C15H17N — CID 7951207

IUPACN-benzyl-4-ethylaniline
SMILESCCc1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C15H17N/c1-2-13-8-10-15(11-9-13)16-12-14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3
InChIKeyWKPODACDMVTDPU-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.86
Rot. Bonds4

About N-benzyl-4-ethylaniline

N-benzyl-4-ethylaniline (PubChem CID 7951207) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is N-benzyl-4-ethylaniline.

Molecular Properties

Compound NameN-benzyl-4-ethylaniline
PubChem CID7951207
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC NameN-benzyl-4-ethylaniline
SMILESCCc1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C15H17N/c1-2-13-8-10-15(11-9-13)16-12-14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3
InChIKeyWKPODACDMVTDPU-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Desipramine
CID 2995
Dimethyl-p-toluidine
CID 7471
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Desipramine Hydrochloride
CID 65327
N-Ethylaniline
CID 7670
Bis(p-(dimethylamino)phenyl)methane
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Dibenz(b,f)azepine
CID 9212
Solvent Yellow 34
CID 10298
4,4'-Bis(1,1,3,3-tetramethylbutyl)diphenylamine
CID 85069
N-Acetyl-4-aminobiphenyl
CID 19998
Iminodibenyl
CID 10308
2,2,4-Trimethyl-1,2-dihydroquinoline
CID 8981

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-ethylaniline?
The IUPAC name of N-benzyl-4-ethylaniline (CID 7951207) is N-benzyl-4-ethylaniline.
What is the SMILES notation for N-benzyl-4-ethylaniline?
The canonical SMILES for N-benzyl-4-ethylaniline is CCc1ccc(NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-ethylaniline?
The InChIKey is WKPODACDMVTDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-2-13-8-10-15(11-9-13)16-12-14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3.
What are the key properties of N-benzyl-4-ethylaniline?
N-benzyl-4-ethylaniline has a molecular weight of 211.31 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-ethylaniline is sourced from PubChem (CID 7951207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).