2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanenitrile

C14H18F3N3 — CID 116692620

IUPAC2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanenitrile
SMILESCN(CCC(F)(F)F)CCC(N)(C#N)c1ccccc1
InChIInChI=1S/C14H18F3N3/c1-20(10-8-14(15,16)17)9-7-13(19,11-18)12-5-3-2-4-6-12/h2-6H,7-10,19H2,1H3
InChIKeyGNEWXYGFRHOIGO-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.64
Rot. Bonds6

About 2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanenitrile

2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanenitrile (PubChem CID 116692620) has the molecular formula C14H18F3N3 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanenitrile.

Molecular Properties

Compound Name2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanenitrile
PubChem CID116692620
Molecular FormulaC14H18F3N3
Molecular Weight285.31 g/mol
Exact Mass285.15
IUPAC Name2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanenitrile
SMILESCN(CCC(F)(F)F)CCC(N)(C#N)c1ccccc1
InChIInChI=1S/C14H18F3N3/c1-20(10-8-14(15,16)17)9-7-13(19,11-18)12-5-3-2-4-6-12/h2-6H,7-10,19H2,1H3
InChIKeyGNEWXYGFRHOIGO-UHFFFAOYSA-N
XLogP2.64
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanenitrile
CID 116692474
2-amino-4-[cyclohexyl(methyl)amino]-2-phenylbutanenitrile
CID 116692337
2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanamide
CID 116693883
2-amino-4-[ethyl(propan-2-yl)amino]-2-phenylbutanenitrile
CID 116692380
2-amino-4-[1-cyclopropylethyl(methyl)amino]-2-phenylbutanenitrile
CID 116692435
2-amino-4-[cyclopropyl(2-methoxyethyl)amino]-2-phenylbutanenitrile
CID 116692499
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylbutanenitrile
CID 116692572
2-amino-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-phenylpropanenitrile
CID 102722776
2-amino-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-phenylbutanenitrile
CID 116692648
2-amino-4-[ethyl(oxolan-2-ylmethyl)amino]-2-phenylbutanenitrile
CID 116692484
(2R)-4-[benzyl(methyl)amino]-2-methyl-2-phenylbutanenitrile
CID 125465888
2-amino-4-(3,5-dimethylpiperidin-1-yl)-2-phenylbutanenitrile
CID 116692281

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanenitrile?
The IUPAC name of 2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanenitrile (CID 116692620) is 2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanenitrile.
What is the SMILES notation for 2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanenitrile?
The canonical SMILES for 2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanenitrile is CN(CCC(F)(F)F)CCC(N)(C#N)c1ccccc1.
What is the InChIKey of 2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanenitrile?
The InChIKey is GNEWXYGFRHOIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3/c1-20(10-8-14(15,16)17)9-7-13(19,11-18)12-5-3-2-4-6-12/h2-6H,7-10,19H2,1H3.
What are the key properties of 2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanenitrile?
2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanenitrile has a molecular weight of 285.31 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanenitrile is sourced from PubChem (CID 116692620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).