1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine

C15H18F2N2O2 — CID 115871509

IUPAC1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine
SMILESCC1CC(Nc2ccc3c(c2)OC(F)(F)O3)CN1C1CC1
InChIInChI=1S/C15H18F2N2O2/c1-9-6-11(8-19(9)12-3-4-12)18-10-2-5-13-14(7-10)21-15(16,17)20-13/h2,5,7,9,11-12,18H,3-4,6,8H2,1H3
InChIKeyCVIHXRYJTUDQFN-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.05
Rot. Bonds3

About 1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine

1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine (PubChem CID 115871509) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine
PubChem CID115871509
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine
SMILESCC1CC(Nc2ccc3c(c2)OC(F)(F)O3)CN1C1CC1
InChIInChI=1S/C15H18F2N2O2/c1-9-6-11(8-19(9)12-3-4-12)18-10-2-5-13-14(7-10)21-15(16,17)20-13/h2,5,7,9,11-12,18H,3-4,6,8H2,1H3
InChIKeyCVIHXRYJTUDQFN-UHFFFAOYSA-N
XLogP3.05
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-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-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine
CID 115871623
2,2-difluoro-N-(4-methylcycloheptyl)-1,3-benzodioxol-5-amine
CID 65080837
1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 115871482
1-cyclopropyl-N-(4-iodophenyl)-5-methylpyrrolidin-3-amine
CID 113491638
2-chloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol
CID 107678571
2,2-difluoro-N-(thian-3-yl)-1,3-benzodioxol-5-amine
CID 62871583
2,2-difluoro-N-(2-methylcyclohexyl)-1,3-benzodioxol-5-amine
CID 43109383
1-cyclopropyl-N-(3-iodophenyl)-5-methylpyrrolidin-3-amine
CID 115871605
N-(2-bicyclo[2.2.1]heptanyl)-2,2-difluoro-1,3-benzodioxol-5-amine
CID 63422949
3-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]benzonitrile
CID 115997321
1-cyclopropyl-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine
CID 115871514
3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 112633175

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine (CID 115871509) is 1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine is CC1CC(Nc2ccc3c(c2)OC(F)(F)O3)CN1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine?
The InChIKey is CVIHXRYJTUDQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-9-6-11(8-19(9)12-3-4-12)18-10-2-5-13-14(7-10)21-15(16,17)20-13/h2,5,7,9,11-12,18H,3-4,6,8H2,1H3.
What are the key properties of 1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine?
1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine has a molecular weight of 296.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine is sourced from PubChem (CID 115871509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).