4-[1-(naphthalen-2-ylamino)ethyl]benzonitrile

C19H16N2 — CID 43680303

IUPAC4-[1-(naphthalen-2-ylamino)ethyl]benzonitrile
SMILESCC(Nc1ccc2ccccc2c1)c1ccc(C#N)cc1
InChIInChI=1S/C19H16N2/c1-14(16-8-6-15(13-20)7-9-16)21-19-11-10-17-4-2-3-5-18(17)12-19/h2-12,14,21H,1H3
InChIKeyHSJVKQUHAFIABG-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.88
Rot. Bonds3

About 4-[1-(naphthalen-2-ylamino)ethyl]benzonitrile

4-[1-(naphthalen-2-ylamino)ethyl]benzonitrile (PubChem CID 43680303) has the molecular formula C19H16N2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[1-(naphthalen-2-ylamino)ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-(naphthalen-2-ylamino)ethyl]benzonitrile
PubChem CID43680303
Molecular FormulaC19H16N2
Molecular Weight272.35 g/mol
Exact Mass272.13
IUPAC Name4-[1-(naphthalen-2-ylamino)ethyl]benzonitrile
SMILESCC(Nc1ccc2ccccc2c1)c1ccc(C#N)cc1
InChIInChI=1S/C19H16N2/c1-14(16-8-6-15(13-20)7-9-16)21-19-11-10-17-4-2-3-5-18(17)12-19/h2-12,14,21H,1H3
InChIKeyHSJVKQUHAFIABG-UHFFFAOYSA-N
XLogP4.88
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(4-cyanoanilino)ethyl]benzonitrile
CID 43195294
N-[1-(4-bromophenyl)ethyl]naphthalen-2-amine
CID 43680266
4-[1-(4-aminophenyl)ethylamino]benzonitrile
CID 60869452
4-[1-(3,5-dimethoxyanilino)ethyl]benzonitrile
CID 43192810
4-[1-(4-bromo-3-chloroanilino)ethyl]benzonitrile
CID 107618720
4-[1-(4-bromo-3-methoxyanilino)ethyl]benzonitrile
CID 82858531
4-[1-(3-methylphenyl)ethylamino]benzonitrile
CID 43763775
4-[1-(3-chloro-4-propan-2-yloxyanilino)ethyl]benzonitrile
CID 78883006
4-[1-(2-bromoanilino)ethyl]benzonitrile
CID 43194470
2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 78762344
(2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 9412867
3-[1-(3-cyanoanilino)ethyl]benzonitrile
CID 43762552

Frequently Asked Questions

What is the IUPAC name of 4-[1-(naphthalen-2-ylamino)ethyl]benzonitrile?
The IUPAC name of 4-[1-(naphthalen-2-ylamino)ethyl]benzonitrile (CID 43680303) is 4-[1-(naphthalen-2-ylamino)ethyl]benzonitrile.
What is the SMILES notation for 4-[1-(naphthalen-2-ylamino)ethyl]benzonitrile?
The canonical SMILES for 4-[1-(naphthalen-2-ylamino)ethyl]benzonitrile is CC(Nc1ccc2ccccc2c1)c1ccc(C#N)cc1.
What is the InChIKey of 4-[1-(naphthalen-2-ylamino)ethyl]benzonitrile?
The InChIKey is HSJVKQUHAFIABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2/c1-14(16-8-6-15(13-20)7-9-16)21-19-11-10-17-4-2-3-5-18(17)12-19/h2-12,14,21H,1H3.
What are the key properties of 4-[1-(naphthalen-2-ylamino)ethyl]benzonitrile?
4-[1-(naphthalen-2-ylamino)ethyl]benzonitrile has a molecular weight of 272.35 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(naphthalen-2-ylamino)ethyl]benzonitrile is sourced from PubChem (CID 43680303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).