2-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanenitrile

C15H20F3N3 — CID 116692474

IUPAC2-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanenitrile
SMILESCCCN(CCC(N)(C#N)c1ccccc1)CC(F)(F)F
InChIInChI=1S/C15H20F3N3/c1-2-9-21(12-15(16,17)18)10-8-14(20,11-19)13-6-4-3-5-7-13/h3-7H,2,8-10,12,20H2,1H3
InChIKeyZBXRQUHNEJLKAA-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.03
Rot. Bonds7

About 2-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanenitrile

2-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanenitrile (PubChem CID 116692474) has the molecular formula C15H20F3N3 and a molecular weight of 299.34 g/mol. Its IUPAC name is 2-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanenitrile.

Molecular Properties

Compound Name2-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanenitrile
PubChem CID116692474
Molecular FormulaC15H20F3N3
Molecular Weight299.34 g/mol
Exact Mass299.16
IUPAC Name2-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanenitrile
SMILESCCCN(CCC(N)(C#N)c1ccccc1)CC(F)(F)F
InChIInChI=1S/C15H20F3N3/c1-2-9-21(12-15(16,17)18)10-8-14(20,11-19)13-6-4-3-5-7-13/h3-7H,2,8-10,12,20H2,1H3
InChIKeyZBXRQUHNEJLKAA-UHFFFAOYSA-N
XLogP3.03
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanenitrile
CID 116692620
1-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butan-2-ol
CID 116695800
2-amino-4-[ethyl(propan-2-yl)amino]-2-phenylbutanenitrile
CID 116692380
2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-1-ol
CID 116695191
2-amino-4-[cyclohexyl(methyl)amino]-2-phenylbutanenitrile
CID 116692337
2-amino-4-[ethyl(oxolan-2-ylmethyl)amino]-2-phenylbutanenitrile
CID 116692484
2-methyl-2-phenyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 62272876
2-amino-4-[1-cyclopropylethyl(methyl)amino]-2-phenylbutanenitrile
CID 116692435
2-amino-4-[cyclopropyl(2-methoxyethyl)amino]-2-phenylbutanenitrile
CID 116692499
4-methyl-2-phenyl-1-N,1-N-dipropylpent-4-ene-1,2-diamine
CID 43829791
2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43459900
1-N-[2-(dimethylamino)ethyl]-2-phenyl-1-N-propylpropane-1,2-diamine
CID 62487058

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanenitrile?
The IUPAC name of 2-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanenitrile (CID 116692474) is 2-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanenitrile.
What is the SMILES notation for 2-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanenitrile?
The canonical SMILES for 2-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanenitrile is CCCN(CCC(N)(C#N)c1ccccc1)CC(F)(F)F.
What is the InChIKey of 2-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanenitrile?
The InChIKey is ZBXRQUHNEJLKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3/c1-2-9-21(12-15(16,17)18)10-8-14(20,11-19)13-6-4-3-5-7-13/h3-7H,2,8-10,12,20H2,1H3.
What are the key properties of 2-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanenitrile?
2-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanenitrile has a molecular weight of 299.34 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanenitrile is sourced from PubChem (CID 116692474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).