2-amino-4-(2-cyclopropylethoxy)-2-phenylbutanenitrile

C15H20N2O — CID 114157788

IUPAC2-amino-4-(2-cyclopropylethoxy)-2-phenylbutanenitrile
SMILESN#CC(N)(CCOCCC1CC1)c1ccccc1
InChIInChI=1S/C15H20N2O/c16-12-15(17,14-4-2-1-3-5-14)9-11-18-10-8-13-6-7-13/h1-5,13H,6-11,17H2
InChIKeyVBTMNHYXGITCSW-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.57
Rot. Bonds7

About 2-amino-4-(2-cyclopropylethoxy)-2-phenylbutanenitrile

2-amino-4-(2-cyclopropylethoxy)-2-phenylbutanenitrile (PubChem CID 114157788) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-amino-4-(2-cyclopropylethoxy)-2-phenylbutanenitrile.

Molecular Properties

Compound Name2-amino-4-(2-cyclopropylethoxy)-2-phenylbutanenitrile
PubChem CID114157788
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-amino-4-(2-cyclopropylethoxy)-2-phenylbutanenitrile
SMILESN#CC(N)(CCOCCC1CC1)c1ccccc1
InChIInChI=1S/C15H20N2O/c16-12-15(17,14-4-2-1-3-5-14)9-11-18-10-8-13-6-7-13/h1-5,13H,6-11,17H2
InChIKeyVBTMNHYXGITCSW-UHFFFAOYSA-N
XLogP2.57
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(oxolan-2-ylmethoxy)-2-phenylbutanenitrile
CID 116692825
1-amino-4-(2-cyclobutylethoxy)-2-phenylbutan-2-ol
CID 106206889
2-amino-4-(2-methylpentoxy)-2-phenylbutanenitrile
CID 103284840
2-amino-4-[cyclopropyl(2-methoxyethyl)amino]-2-phenylbutanenitrile
CID 116692499
2-amino-4-(cyclopentylmethylsulfanyl)-2-phenylbutanenitrile
CID 116693340
3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanenitrile
CID 106204090
2-amino-4-[cyclohexyl(methyl)amino]-2-phenylbutanenitrile
CID 116692337
2-amino-4-(4-cyclopropylpiperazin-1-yl)-2-phenylbutanenitrile
CID 116692537
2-amino-4-(2,5-difluorophenoxy)-2-phenylbutanenitrile
CID 116692970
2-amino-4-[1-cyclopropylethyl(methyl)amino]-2-phenylbutanenitrile
CID 116692435
2-amino-4-(3,5-dimethylpiperidin-1-yl)-2-phenylbutanenitrile
CID 116692281
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylbutanenitrile
CID 116692572

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-cyclopropylethoxy)-2-phenylbutanenitrile?
The IUPAC name of 2-amino-4-(2-cyclopropylethoxy)-2-phenylbutanenitrile (CID 114157788) is 2-amino-4-(2-cyclopropylethoxy)-2-phenylbutanenitrile.
What is the SMILES notation for 2-amino-4-(2-cyclopropylethoxy)-2-phenylbutanenitrile?
The canonical SMILES for 2-amino-4-(2-cyclopropylethoxy)-2-phenylbutanenitrile is N#CC(N)(CCOCCC1CC1)c1ccccc1.
What is the InChIKey of 2-amino-4-(2-cyclopropylethoxy)-2-phenylbutanenitrile?
The InChIKey is VBTMNHYXGITCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c16-12-15(17,14-4-2-1-3-5-14)9-11-18-10-8-13-6-7-13/h1-5,13H,6-11,17H2.
What are the key properties of 2-amino-4-(2-cyclopropylethoxy)-2-phenylbutanenitrile?
2-amino-4-(2-cyclopropylethoxy)-2-phenylbutanenitrile has a molecular weight of 244.34 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-cyclopropylethoxy)-2-phenylbutanenitrile is sourced from PubChem (CID 114157788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).