N-[2-(difluoromethoxy)phenyl]-1-methylpyrrolidin-3-amine

C12H16F2N2O — CID 62977442

IUPACN-[2-(difluoromethoxy)phenyl]-1-methylpyrrolidin-3-amine
SMILESCN1CCC(Nc2ccccc2OC(F)F)C1
InChIInChI=1S/C12H16F2N2O/c1-16-7-6-9(8-16)15-10-4-2-3-5-11(10)17-12(13)14/h2-5,9,12,15H,6-8H2,1H3
InChIKeyVUTZAAPPQVBDFM-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.40
Rot. Bonds4

About N-[2-(difluoromethoxy)phenyl]-1-methylpyrrolidin-3-amine

N-[2-(difluoromethoxy)phenyl]-1-methylpyrrolidin-3-amine (PubChem CID 62977442) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-1-methylpyrrolidin-3-amine
PubChem CID62977442
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC NameN-[2-(difluoromethoxy)phenyl]-1-methylpyrrolidin-3-amine
SMILESCN1CCC(Nc2ccccc2OC(F)F)C1
InChIInChI=1S/C12H16F2N2O/c1-16-7-6-9(8-16)15-10-4-2-3-5-11(10)17-12(13)14/h2-5,9,12,15H,6-8H2,1H3
InChIKeyVUTZAAPPQVBDFM-UHFFFAOYSA-N
XLogP2.40
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(difluoromethoxy)phenyl]-1-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

N-[2-(difluoromethoxy)phenyl]-1,5-dimethylpyrrolidin-3-amine
CID 81465818
1-methyl-N-(2-methylphenyl)pyrrolidin-3-amine
CID 62976686
N-[2-(difluoromethoxy)phenyl]thian-4-amine
CID 43511331
2-(difluoromethoxy)-N-(3-methylcyclohexyl)aniline
CID 43106368
N-(2-chlorophenyl)-1-methylpyrrolidin-3-amine
CID 62975578
N-[2-(difluoromethoxy)phenyl]-4-methylcycloheptan-1-amine
CID 65081271
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpiperidin-4-amine
CID 43373385
N-[2-(difluoromethoxy)phenyl]-5-methylthiolan-3-amine
CID 79941506
N-[2-(aminomethyl)phenyl]-1-methylpyrrolidin-3-amine
CID 82506999
2-(difluoromethoxy)-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172188
3-fluoro-1-N-(1-methylpyrrolidin-3-yl)benzene-1,2-diamine
CID 61462092
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855904

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-1-methylpyrrolidin-3-amine?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-1-methylpyrrolidin-3-amine (CID 62977442) is N-[2-(difluoromethoxy)phenyl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-1-methylpyrrolidin-3-amine is CN1CCC(Nc2ccccc2OC(F)F)C1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-1-methylpyrrolidin-3-amine?
The InChIKey is VUTZAAPPQVBDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-16-7-6-9(8-16)15-10-4-2-3-5-11(10)17-12(13)14/h2-5,9,12,15H,6-8H2,1H3.
What are the key properties of N-[2-(difluoromethoxy)phenyl]-1-methylpyrrolidin-3-amine?
N-[2-(difluoromethoxy)phenyl]-1-methylpyrrolidin-3-amine has a molecular weight of 242.27 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 62977442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).