2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]but-3-yn-2-amine

C14H16F3N — CID 63999141

IUPAC2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]but-3-yn-2-amine
SMILESC#CC(C)(C)NC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3N/c1-5-13(3,4)18-10(2)11-6-8-12(9-7-11)14(15,16)17/h1,6-10,18H,2-4H3
InChIKeyVLAMJPKISSPGGL-UHFFFAOYSA-N
MW255.28 g/mol
LogP3.77
Rot. Bonds3

About 2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]but-3-yn-2-amine

2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]but-3-yn-2-amine (PubChem CID 63999141) has the molecular formula C14H16F3N and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]but-3-yn-2-amine.

Molecular Properties

Compound Name2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]but-3-yn-2-amine
PubChem CID63999141
Molecular FormulaC14H16F3N
Molecular Weight255.28 g/mol
Exact Mass255.12
IUPAC Name2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]but-3-yn-2-amine
SMILESC#CC(C)(C)NC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3N/c1-5-13(3,4)18-10(2)11-6-8-12(9-7-11)14(15,16)17/h1,6-10,18H,2-4H3
InChIKeyVLAMJPKISSPGGL-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]but-3-yn-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]but-3-yn-2-amine?
The IUPAC name of 2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]but-3-yn-2-amine (CID 63999141) is 2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]but-3-yn-2-amine.
What is the SMILES notation for 2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]but-3-yn-2-amine?
The canonical SMILES for 2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]but-3-yn-2-amine is C#CC(C)(C)NC(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]but-3-yn-2-amine?
The InChIKey is VLAMJPKISSPGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N/c1-5-13(3,4)18-10(2)11-6-8-12(9-7-11)14(15,16)17/h1,6-10,18H,2-4H3.
What are the key properties of 2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]but-3-yn-2-amine?
2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]but-3-yn-2-amine has a molecular weight of 255.28 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]but-3-yn-2-amine is sourced from PubChem (CID 63999141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).