4-[2-(4-ethylphenyl)ethylamino]butanenitrile

C14H20N2 — CID 115231880

IUPAC4-[2-(4-ethylphenyl)ethylamino]butanenitrile
SMILESCCc1ccc(CCNCCCC#N)cc1
InChIInChI=1S/C14H20N2/c1-2-13-5-7-14(8-6-13)9-12-16-11-4-3-10-15/h5-8,16H,2-4,9,11-12H2,1H3
InChIKeyLKOZDFWZPXATOQ-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.68
Rot. Bonds7

About 4-[2-(4-ethylphenyl)ethylamino]butanenitrile

4-[2-(4-ethylphenyl)ethylamino]butanenitrile (PubChem CID 115231880) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 4-[2-(4-ethylphenyl)ethylamino]butanenitrile.

Molecular Properties

Compound Name4-[2-(4-ethylphenyl)ethylamino]butanenitrile
PubChem CID115231880
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name4-[2-(4-ethylphenyl)ethylamino]butanenitrile
SMILESCCc1ccc(CCNCCCC#N)cc1
InChIInChI=1S/C14H20N2/c1-2-13-5-7-14(8-6-13)9-12-16-11-4-3-10-15/h5-8,16H,2-4,9,11-12H2,1H3
InChIKeyLKOZDFWZPXATOQ-UHFFFAOYSA-N
XLogP2.68
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-tert-butylphenyl)ethylamino]butanenitrile
CID 115231882
4-[2-(4-ethylsulfanylphenyl)ethylamino]butanenitrile
CID 115231954
4-[2-(4-phenylphenyl)ethylamino]butanenitrile
CID 115231915
4-(2-naphthalen-2-ylethylamino)butanenitrile
CID 115231991
N-[2-(4-ethylphenyl)ethyl]propan-1-amine
CID 62550246
4-(4-propylanilino)butanenitrile
CID 43216271
3-[2-(4-methoxyphenyl)ethylamino]propanenitrile
CID 43082695
3-cyano-N-[2-(4-ethylphenyl)ethyl]propanamide
CID 94685245
4-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]butanenitrile
CID 115231960
2-[2-(4-ethylphenyl)ethylamino]ethanol
CID 94679941
4-[2-(2,4-difluorophenyl)ethylamino]butanenitrile
CID 115231929
4-(octylamino)butanenitrile
CID 78914352

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethylphenyl)ethylamino]butanenitrile?
The IUPAC name of 4-[2-(4-ethylphenyl)ethylamino]butanenitrile (CID 115231880) is 4-[2-(4-ethylphenyl)ethylamino]butanenitrile.
What is the SMILES notation for 4-[2-(4-ethylphenyl)ethylamino]butanenitrile?
The canonical SMILES for 4-[2-(4-ethylphenyl)ethylamino]butanenitrile is CCc1ccc(CCNCCCC#N)cc1.
What is the InChIKey of 4-[2-(4-ethylphenyl)ethylamino]butanenitrile?
The InChIKey is LKOZDFWZPXATOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-13-5-7-14(8-6-13)9-12-16-11-4-3-10-15/h5-8,16H,2-4,9,11-12H2,1H3.
What are the key properties of 4-[2-(4-ethylphenyl)ethylamino]butanenitrile?
4-[2-(4-ethylphenyl)ethylamino]butanenitrile has a molecular weight of 216.33 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethylphenyl)ethylamino]butanenitrile is sourced from PubChem (CID 115231880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).