1-benzyl-3-(trifluoromethyl)pyrrolidin-3-amine

C12H15F3N2 — CID 53403180

IUPAC1-benzyl-3-(trifluoromethyl)pyrrolidin-3-amine
SMILESNC1(C(F)(F)F)CCN(Cc2ccccc2)C1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)11(16)6-7-17(9-11)8-10-4-2-1-3-5-10/h1-5H,6-9,16H2
InChIKeyZXBLFXOIZZZBHD-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.15
Rot. Bonds2

About 1-benzyl-3-(trifluoromethyl)pyrrolidin-3-amine

1-benzyl-3-(trifluoromethyl)pyrrolidin-3-amine (PubChem CID 53403180) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 1-benzyl-3-(trifluoromethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-3-(trifluoromethyl)pyrrolidin-3-amine
PubChem CID53403180
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name1-benzyl-3-(trifluoromethyl)pyrrolidin-3-amine
SMILESNC1(C(F)(F)F)CCN(Cc2ccccc2)C1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)11(16)6-7-17(9-11)8-10-4-2-1-3-5-10/h1-5H,6-9,16H2
InChIKeyZXBLFXOIZZZBHD-UHFFFAOYSA-N
XLogP2.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3-(trifluoromethyl)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

1-benzyl-3-methylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 159201320
[(3S)-3-amino-1-benzylpyrrolidin-3-yl]methanol
CID 93087782
1-benzyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxamide
CID 60999133
2-benzyl-2,8-diazaspiro[4.5]decane-8-sulfonamide
CID 136518555
[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
CID 51892328
1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol
CID 80605715
(4-aminopiperidin-1-yl)-[1-benzyl-3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 119375806
1-[5-[1-benzyl-3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859036
1-benzyl-4-(fluoromethyl)azepan-4-amine
CID 115041654
1-benzyl-3-(3-chloro-5-methylphenyl)-3-(trifluoromethyl)pyrrolidine
CID 66836555
2-[[1-benzyl-3-(trifluoromethyl)pyrrolidine-3-carbonyl]-methylamino]acetic acid
CID 119346070
N-(3-aminopropyl)-1-benzyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119407848

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(trifluoromethyl)pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-3-(trifluoromethyl)pyrrolidin-3-amine (CID 53403180) is 1-benzyl-3-(trifluoromethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-3-(trifluoromethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-3-(trifluoromethyl)pyrrolidin-3-amine is NC1(C(F)(F)F)CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(trifluoromethyl)pyrrolidin-3-amine?
The InChIKey is ZXBLFXOIZZZBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c13-12(14,15)11(16)6-7-17(9-11)8-10-4-2-1-3-5-10/h1-5H,6-9,16H2.
What are the key properties of 1-benzyl-3-(trifluoromethyl)pyrrolidin-3-amine?
1-benzyl-3-(trifluoromethyl)pyrrolidin-3-amine has a molecular weight of 244.26 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(trifluoromethyl)pyrrolidin-3-amine is sourced from PubChem (CID 53403180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).