3-ethyl-N-(1-naphthalen-2-ylethyl)aniline

C20H21N — CID 43099352

IUPAC3-ethyl-N-(1-naphthalen-2-ylethyl)aniline
SMILESCCc1cccc(NC(C)c2ccc3ccccc3c2)c1
InChIInChI=1S/C20H21N/c1-3-16-7-6-10-20(13-16)21-15(2)18-12-11-17-8-4-5-9-19(17)14-18/h4-15,21H,3H2,1-2H3
InChIKeyHKJGSVTWYKXEDR-UHFFFAOYSA-N
MW275.40 g/mol
LogP5.58
Rot. Bonds4

About 3-ethyl-N-(1-naphthalen-2-ylethyl)aniline

3-ethyl-N-(1-naphthalen-2-ylethyl)aniline (PubChem CID 43099352) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-ethyl-N-(1-naphthalen-2-ylethyl)aniline.

Molecular Properties

Compound Name3-ethyl-N-(1-naphthalen-2-ylethyl)aniline
PubChem CID43099352
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC Name3-ethyl-N-(1-naphthalen-2-ylethyl)aniline
SMILESCCc1cccc(NC(C)c2ccc3ccccc3c2)c1
InChIInChI=1S/C20H21N/c1-3-16-7-6-10-20(13-16)21-15(2)18-12-11-17-8-4-5-9-19(17)14-18/h4-15,21H,3H2,1-2H3
InChIKeyHKJGSVTWYKXEDR-UHFFFAOYSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.40
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-ethyl-N-(1-naphthalen-2-ylethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-(1-naphthalen-2-ylethyl)aniline
CID 43098367
3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43196055
3-[1-(3-ethylanilino)ethyl]benzenesulfonamide
CID 43765077
N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
CID 43104035
N-[1-(4-ethylphenyl)ethyl]aniline
CID 43190038
1-(3-ethylanilino)ethanol
CID 174601913
3-ethyl-N-(3-methylbutan-2-yl)aniline
CID 43196057
4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)aniline
CID 43103988
N-(1-naphthalen-2-ylethyl)thiophen-3-amine
CID 66351255
4-(1-naphthalen-2-ylethylamino)benzamide
CID 43824500
N-[1-(4-bromophenyl)ethyl]naphthalen-2-amine
CID 43680266
3-ethyl-N-(3-methyl-1-phenylbutyl)aniline
CID 43102819

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-naphthalen-2-ylethyl)aniline?
The IUPAC name of 3-ethyl-N-(1-naphthalen-2-ylethyl)aniline (CID 43099352) is 3-ethyl-N-(1-naphthalen-2-ylethyl)aniline.
What is the SMILES notation for 3-ethyl-N-(1-naphthalen-2-ylethyl)aniline?
The canonical SMILES for 3-ethyl-N-(1-naphthalen-2-ylethyl)aniline is CCc1cccc(NC(C)c2ccc3ccccc3c2)c1.
What is the InChIKey of 3-ethyl-N-(1-naphthalen-2-ylethyl)aniline?
The InChIKey is HKJGSVTWYKXEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-3-16-7-6-10-20(13-16)21-15(2)18-12-11-17-8-4-5-9-19(17)14-18/h4-15,21H,3H2,1-2H3.
What are the key properties of 3-ethyl-N-(1-naphthalen-2-ylethyl)aniline?
3-ethyl-N-(1-naphthalen-2-ylethyl)aniline has a molecular weight of 275.40 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-naphthalen-2-ylethyl)aniline is sourced from PubChem (CID 43099352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).