3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine

C23H30F3NO — CID 11303962

IUPAC3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
SMILESCOc1ccc(C(F)(F)F)cc1C(CCN(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C23H30F3NO/c1-16(2)27(17(3)4)14-13-20(18-9-7-6-8-10-18)21-15-19(23(24,25)26)11-12-22(21)28-5/h6-12,15-17,20H,13-14H2,1-5H3
InChIKeyXJQYYTAEVPGXIQ-UHFFFAOYSA-N
MW393.49 g/mol
LogP6.35
Rot. Bonds8

About 3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine

3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine (PubChem CID 11303962) has the molecular formula C23H30F3NO and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
PubChem CID11303962
Molecular FormulaC23H30F3NO
Molecular Weight393.49 g/mol
Exact Mass393.23
IUPAC Name3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
SMILESCOc1ccc(C(F)(F)F)cc1C(CCN(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C23H30F3NO/c1-16(2)27(17(3)4)14-13-20(18-9-7-6-8-10-18)21-15-19(23(24,25)26)11-12-22(21)28-5/h6-12,15-17,20H,13-14H2,1-5H3
InChIKeyXJQYYTAEVPGXIQ-UHFFFAOYSA-N
XLogP6.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenyl-N,N-di(propan-2-yl)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 3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine?
The IUPAC name of 3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine (CID 11303962) is 3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine.
What is the SMILES notation for 3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine?
The canonical SMILES for 3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine is COc1ccc(C(F)(F)F)cc1C(CCN(C(C)C)C(C)C)c1ccccc1.
What is the InChIKey of 3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine?
The InChIKey is XJQYYTAEVPGXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3NO/c1-16(2)27(17(3)4)14-13-20(18-9-7-6-8-10-18)21-15-19(23(24,25)26)11-12-22(21)28-5/h6-12,15-17,20H,13-14H2,1-5H3.
What are the key properties of 3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine?
3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine has a molecular weight of 393.49 g/mol, XLogP of 6.35, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenyl-N,N-di(propan-2-yl)propan-1-amine is sourced from PubChem (CID 11303962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).