N-(2,5-difluorophenyl)pyrrolidin-3-amine

C10H12F2N2 — CID 79737094

IUPACN-(2,5-difluorophenyl)pyrrolidin-3-amine
SMILESFc1ccc(F)c(NC2CCNC2)c1
InChIInChI=1S/C10H12F2N2/c11-7-1-2-9(12)10(5-7)14-8-3-4-13-6-8/h1-2,5,8,13-14H,3-4,6H2
InChIKeyTVBRRARUOGDMIJ-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.74
Rot. Bonds2

About N-(2,5-difluorophenyl)pyrrolidin-3-amine

N-(2,5-difluorophenyl)pyrrolidin-3-amine (PubChem CID 79737094) has the molecular formula C10H12F2N2 and a molecular weight of 198.22 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)pyrrolidin-3-amine
PubChem CID79737094
Molecular FormulaC10H12F2N2
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC NameN-(2,5-difluorophenyl)pyrrolidin-3-amine
SMILESFc1ccc(F)c(NC2CCNC2)c1
InChIInChI=1S/C10H12F2N2/c11-7-1-2-9(12)10(5-7)14-8-3-4-13-6-8/h1-2,5,8,13-14H,3-4,6H2
InChIKeyTVBRRARUOGDMIJ-UHFFFAOYSA-N
XLogP1.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)pyrrolidin-3-amine
CID 66545630
N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 79741047
6-fluoro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine
CID 68720572
N-(2-bromo-5-fluorophenyl)piperidin-4-amine
CID 107632991
N-(2-bromo-5-chlorophenyl)pyrrolidin-3-amine
CID 81264104
N-(2,4,5-trifluorophenyl)piperidin-3-amine
CID 62814853
5-(3,4-difluorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697923
5-fluoro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
CID 58254860
6-fluoro-7-(pyrrolidin-3-ylamino)-1H-quinolin-2-one
CID 66888649
2,5-difluoro-N-[(1R,3S)-3-methylcyclopentyl]aniline
CID 95376152
2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684830
N-(2,5-difluorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 115145681

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)pyrrolidin-3-amine?
The IUPAC name of N-(2,5-difluorophenyl)pyrrolidin-3-amine (CID 79737094) is N-(2,5-difluorophenyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(2,5-difluorophenyl)pyrrolidin-3-amine?
The canonical SMILES for N-(2,5-difluorophenyl)pyrrolidin-3-amine is Fc1ccc(F)c(NC2CCNC2)c1.
What is the InChIKey of N-(2,5-difluorophenyl)pyrrolidin-3-amine?
The InChIKey is TVBRRARUOGDMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2/c11-7-1-2-9(12)10(5-7)14-8-3-4-13-6-8/h1-2,5,8,13-14H,3-4,6H2.
What are the key properties of N-(2,5-difluorophenyl)pyrrolidin-3-amine?
N-(2,5-difluorophenyl)pyrrolidin-3-amine has a molecular weight of 198.22 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 79737094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).