1-cyclopropyl-N-(2,3,5,6-tetrafluorophenyl)pyrrolidin-3-amine

C13H14F4N2 — CID 107643590

IUPAC1-cyclopropyl-N-(2,3,5,6-tetrafluorophenyl)pyrrolidin-3-amine
SMILESFc1cc(F)c(F)c(NC2CCN(C3CC3)C2)c1F
InChIInChI=1S/C13H14F4N2/c14-9-5-10(15)12(17)13(11(9)16)18-7-3-4-19(6-7)8-1-2-8/h5,7-8,18H,1-4,6H2
InChIKeyZCASFLXNNHYQID-UHFFFAOYSA-N
MW274.26 g/mol
LogP2.89
Rot. Bonds3

About 1-cyclopropyl-N-(2,3,5,6-tetrafluorophenyl)pyrrolidin-3-amine

1-cyclopropyl-N-(2,3,5,6-tetrafluorophenyl)pyrrolidin-3-amine (PubChem CID 107643590) has the molecular formula C13H14F4N2 and a molecular weight of 274.26 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2,3,5,6-tetrafluorophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(2,3,5,6-tetrafluorophenyl)pyrrolidin-3-amine
PubChem CID107643590
Molecular FormulaC13H14F4N2
Molecular Weight274.26 g/mol
Exact Mass274.11
IUPAC Name1-cyclopropyl-N-(2,3,5,6-tetrafluorophenyl)pyrrolidin-3-amine
SMILESFc1cc(F)c(F)c(NC2CCN(C3CC3)C2)c1F
InChIInChI=1S/C13H14F4N2/c14-9-5-10(15)12(17)13(11(9)16)18-7-3-4-19(6-7)8-1-2-8/h5,7-8,18H,1-4,6H2
InChIKeyZCASFLXNNHYQID-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-N-(2,3,5,6-tetrafluorophenyl)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-cyclopropyl-N-(2,6-difluorophenyl)pyrrolidin-3-amine
CID 62983179
1-cyclopropyl-N-(2,4-difluorophenyl)pyrrolidin-3-amine
CID 55139840
2,6-dichloro-1-N-(1-cyclopropylpyrrolidin-3-yl)benzene-1,4-diamine
CID 106890228
1-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrrolidin-3-amine
CID 79055593
1-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590220
1-cyclopropyl-N-(2-fluoro-6-nitrophenyl)pyrrolidin-3-amine
CID 81309720
2-[(1-cyclopropylpyrrolidin-3-yl)amino]-3-fluoropyridine-4-carboxylic acid
CID 105382170
N-(1-cyclopropylpyrrolidin-3-yl)-3,4-difluorobenzamide
CID 47938545
N-(1-cyclopropylpyrrolidin-3-yl)-2,3-difluorobenzamide
CID 62661461
1-cyclopropyl-N-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-amine
CID 62982651
5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)pyridin-3-amine
CID 115922859
N-(3,5-dimethylcyclohexyl)-2,3,5,6-tetrafluoroaniline
CID 107643599

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2,3,5,6-tetrafluorophenyl)pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-(2,3,5,6-tetrafluorophenyl)pyrrolidin-3-amine (CID 107643590) is 1-cyclopropyl-N-(2,3,5,6-tetrafluorophenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-(2,3,5,6-tetrafluorophenyl)pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-(2,3,5,6-tetrafluorophenyl)pyrrolidin-3-amine is Fc1cc(F)c(F)c(NC2CCN(C3CC3)C2)c1F.
What is the InChIKey of 1-cyclopropyl-N-(2,3,5,6-tetrafluorophenyl)pyrrolidin-3-amine?
The InChIKey is ZCASFLXNNHYQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2/c14-9-5-10(15)12(17)13(11(9)16)18-7-3-4-19(6-7)8-1-2-8/h5,7-8,18H,1-4,6H2.
What are the key properties of 1-cyclopropyl-N-(2,3,5,6-tetrafluorophenyl)pyrrolidin-3-amine?
1-cyclopropyl-N-(2,3,5,6-tetrafluorophenyl)pyrrolidin-3-amine has a molecular weight of 274.26 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2,3,5,6-tetrafluorophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 107643590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).