2,2-dimethyl-N-(1-phenylethoxy)-N-prop-1-en-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-amine

C23H28F3NO — CID 89117935

IUPAC2,2-dimethyl-N-(1-phenylethoxy)-N-prop-1-en-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESC=C(C)N(OC(C)c1ccccc1)C(c1ccc(C(F)(F)F)cc1)C(C)(C)C
InChIInChI=1S/C23H28F3NO/c1-16(2)27(28-17(3)18-10-8-7-9-11-18)21(22(4,5)6)19-12-14-20(15-13-19)23(24,25)26/h7-15,17,21H,1H2,2-6H3
InChIKeyYTRXJVIPMZJLSC-UHFFFAOYSA-N
MW391.48 g/mol
LogP7.32
Rot. Bonds6

About 2,2-dimethyl-N-(1-phenylethoxy)-N-prop-1-en-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-amine

2,2-dimethyl-N-(1-phenylethoxy)-N-prop-1-en-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 89117935) has the molecular formula C23H28F3NO and a molecular weight of 391.48 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-phenylethoxy)-N-prop-1-en-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-phenylethoxy)-N-prop-1-en-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID89117935
Molecular FormulaC23H28F3NO
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name2,2-dimethyl-N-(1-phenylethoxy)-N-prop-1-en-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESC=C(C)N(OC(C)c1ccccc1)C(c1ccc(C(F)(F)F)cc1)C(C)(C)C
InChIInChI=1S/C23H28F3NO/c1-16(2)27(28-17(3)18-10-8-7-9-11-18)21(22(4,5)6)19-12-14-20(15-13-19)23(24,25)26/h7-15,17,21H,1H2,2-6H3
InChIKeyYTRXJVIPMZJLSC-UHFFFAOYSA-N
XLogP7.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.48
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-N-(1-phenylethoxy)-N-prop-1-en-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-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 2,2-dimethyl-N-(1-phenylethoxy)-N-prop-1-en-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(1-phenylethoxy)-N-prop-1-en-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-amine (CID 89117935) is 2,2-dimethyl-N-(1-phenylethoxy)-N-prop-1-en-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(1-phenylethoxy)-N-prop-1-en-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(1-phenylethoxy)-N-prop-1-en-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-amine is C=C(C)N(OC(C)c1ccccc1)C(c1ccc(C(F)(F)F)cc1)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-(1-phenylethoxy)-N-prop-1-en-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is YTRXJVIPMZJLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3NO/c1-16(2)27(28-17(3)18-10-8-7-9-11-18)21(22(4,5)6)19-12-14-20(15-13-19)23(24,25)26/h7-15,17,21H,1H2,2-6H3.
What are the key properties of 2,2-dimethyl-N-(1-phenylethoxy)-N-prop-1-en-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-amine?
2,2-dimethyl-N-(1-phenylethoxy)-N-prop-1-en-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 391.48 g/mol, XLogP of 7.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1-phenylethoxy)-N-prop-1-en-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 89117935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).