1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine

C22H26F3N3 — CID 67064883

IUPAC1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
SMILESNC1CCN(CCNC2CC2c2ccc(-c3ccccc3)cc2C(F)(F)F)C1
InChIInChI=1S/C22H26F3N3/c23-22(24,25)20-12-16(15-4-2-1-3-5-15)6-7-18(20)19-13-21(19)27-9-11-28-10-8-17(26)14-28/h1-7,12,17,19,21,27H,8-11,13-14,26H2
InChIKeyGLZJPIMYVOKGDH-UHFFFAOYSA-N
MW389.47 g/mol
LogP3.85
Rot. Bonds6

About 1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine

1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine (PubChem CID 67064883) has the molecular formula C22H26F3N3 and a molecular weight of 389.47 g/mol. Its IUPAC name is 1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
PubChem CID67064883
Molecular FormulaC22H26F3N3
Molecular Weight389.47 g/mol
Exact Mass389.21
IUPAC Name1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
SMILESNC1CCN(CCNC2CC2c2ccc(-c3ccccc3)cc2C(F)(F)F)C1
InChIInChI=1S/C22H26F3N3/c23-22(24,25)20-12-16(15-4-2-1-3-5-15)6-7-18(20)19-13-21(19)27-9-11-28-10-8-17(26)14-28/h1-7,12,17,19,21,27H,8-11,13-14,26H2
InChIKeyGLZJPIMYVOKGDH-UHFFFAOYSA-N
XLogP3.85
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-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 1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine (CID 67064883) is 1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine is NC1CCN(CCNC2CC2c2ccc(-c3ccccc3)cc2C(F)(F)F)C1.
What is the InChIKey of 1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine?
The InChIKey is GLZJPIMYVOKGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3/c23-22(24,25)20-12-16(15-4-2-1-3-5-15)6-7-18(20)19-13-21(19)27-9-11-28-10-8-17(26)14-28/h1-7,12,17,19,21,27H,8-11,13-14,26H2.
What are the key properties of 1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine?
1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine has a molecular weight of 389.47 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 67064883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).