(3S,4R)-1-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine

C18H19F3N2 — CID 139593254

IUPAC(3S,4R)-1-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
SMILESN[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2/c19-18(20,21)15-8-6-14(7-9-15)16-11-23(12-17(16)22)10-13-4-2-1-3-5-13/h1-9,16-17H,10-12,22H2/t16-,17+/m0/s1
InChIKeyRHVLEHJTSYWVDW-DLBZAZTESA-N
MW320.36 g/mol
LogP3.63
Rot. Bonds3

About (3S,4R)-1-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine

(3S,4R)-1-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine (PubChem CID 139593254) has the molecular formula C18H19F3N2 and a molecular weight of 320.36 g/mol. Its IUPAC name is (3S,4R)-1-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
PubChem CID139593254
Molecular FormulaC18H19F3N2
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name(3S,4R)-1-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
SMILESN[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2/c19-18(20,21)15-8-6-14(7-9-15)16-11-23(12-17(16)22)10-13-4-2-1-3-5-13/h1-9,16-17H,10-12,22H2/t16-,17+/m0/s1
InChIKeyRHVLEHJTSYWVDW-DLBZAZTESA-N
XLogP3.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S,4R)-1-benzyl-4-[4-(trifluoromethyl)phenyl]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

Related Compounds

(4R)-1-benzyl-4-(3,5-difluorophenyl)pyrrolidin-3-amine
CID 146550494
1-benzyl-4-(3,5-dichlorophenyl)pyrrolidin-3-amine
CID 131117119
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
(3R,4S)-1-benzyl-4-(6-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 146402230
(3R,4R)-1-benzyl-4-[3-[4-(trifluoromethyl)phenyl]prop-2-ynoxy]pyrrolidin-3-amine
CID 143813368
(3S,4R)-1-[[4-(difluoromethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120761188
(3R,4S)-1-benzyl-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 66606644
(3S,4R)-1-[[4-(2,2-difluoroethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine
CID 120770114
(3S,4R)-4-phenyl-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine
CID 120846765
1-benzyl-4-phenylpyrrolidin-3-ol
CID 12044053
1-benzylpyrrolidine-3,4-diamine;cyclobutane-1,2-diamine;cyclopropane-1,2-diamine
CID 158227606
(3S,4R)-1-[(5-chloro-2-fluorophenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770008

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine (CID 139593254) is (3S,4R)-1-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine is N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (3S,4R)-1-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The InChIKey is RHVLEHJTSYWVDW-DLBZAZTESA-N. The full InChI is InChI=1S/C18H19F3N2/c19-18(20,21)15-8-6-14(7-9-15)16-11-23(12-17(16)22)10-13-4-2-1-3-5-13/h1-9,16-17H,10-12,22H2/t16-,17+/m0/s1.
What are the key properties of (3S,4R)-1-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
(3S,4R)-1-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine has a molecular weight of 320.36 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 139593254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).