2-amino-4-(2,3-dihydroindol-1-yl)-2-phenylbutanenitrile

C18H19N3 — CID 116692280

IUPAC2-amino-4-(2,3-dihydroindol-1-yl)-2-phenylbutanenitrile
SMILESN#CC(N)(CCN1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C18H19N3/c19-14-18(20,16-7-2-1-3-8-16)11-13-21-12-10-15-6-4-5-9-17(15)21/h1-9H,10-13,20H2
InChIKeyJBIHZLSUILUJNR-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.82
Rot. Bonds4

About 2-amino-4-(2,3-dihydroindol-1-yl)-2-phenylbutanenitrile

2-amino-4-(2,3-dihydroindol-1-yl)-2-phenylbutanenitrile (PubChem CID 116692280) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-amino-4-(2,3-dihydroindol-1-yl)-2-phenylbutanenitrile.

Molecular Properties

Compound Name2-amino-4-(2,3-dihydroindol-1-yl)-2-phenylbutanenitrile
PubChem CID116692280
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name2-amino-4-(2,3-dihydroindol-1-yl)-2-phenylbutanenitrile
SMILESN#CC(N)(CCN1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C18H19N3/c19-14-18(20,16-7-2-1-3-8-16)11-13-21-12-10-15-6-4-5-9-17(15)21/h1-9H,10-13,20H2
InChIKeyJBIHZLSUILUJNR-UHFFFAOYSA-N
XLogP2.82
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3-dihydroindol-1-yl)-2,2-dimethylpentanenitrile
CID 65257292
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
2-amino-2-cyclopropyl-3-(2,3-dihydroindol-1-yl)propanenitrile
CID 63913497
2-amino-4-(4-cyclopropylpiperazin-1-yl)-2-phenylbutanenitrile
CID 116692537
2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanenitrile
CID 116692576
1-(2-iodoethyl)-2,3-dihydroindole
CID 131082836
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylbutanenitrile
CID 116692572
2-(2,3-dihydroindol-1-yl)ethanol;hydrochloride
CID 169005265
5-(2,3-dihydroindol-1-yl)-2-ethyl-2-(propylamino)pentanenitrile
CID 106802798
2-amino-4-(2-ethylpiperidin-1-yl)-2-phenylbutanenitrile
CID 116692385
2-amino-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile
CID 63028093
2-(cyclopropylamino)-5-(2,3-dihydroindol-1-yl)-2-ethylpentanenitrile
CID 106802800

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,3-dihydroindol-1-yl)-2-phenylbutanenitrile?
The IUPAC name of 2-amino-4-(2,3-dihydroindol-1-yl)-2-phenylbutanenitrile (CID 116692280) is 2-amino-4-(2,3-dihydroindol-1-yl)-2-phenylbutanenitrile.
What is the SMILES notation for 2-amino-4-(2,3-dihydroindol-1-yl)-2-phenylbutanenitrile?
The canonical SMILES for 2-amino-4-(2,3-dihydroindol-1-yl)-2-phenylbutanenitrile is N#CC(N)(CCN1CCc2ccccc21)c1ccccc1.
What is the InChIKey of 2-amino-4-(2,3-dihydroindol-1-yl)-2-phenylbutanenitrile?
The InChIKey is JBIHZLSUILUJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c19-14-18(20,16-7-2-1-3-8-16)11-13-21-12-10-15-6-4-5-9-17(15)21/h1-9H,10-13,20H2.
What are the key properties of 2-amino-4-(2,3-dihydroindol-1-yl)-2-phenylbutanenitrile?
2-amino-4-(2,3-dihydroindol-1-yl)-2-phenylbutanenitrile has a molecular weight of 277.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,3-dihydroindol-1-yl)-2-phenylbutanenitrile is sourced from PubChem (CID 116692280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).