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

C13H16F2N2 — CID 62983179

IUPAC1-cyclopropyl-N-(2,6-difluorophenyl)pyrrolidin-3-amine
SMILESFc1cccc(F)c1NC1CCN(C2CC2)C1
InChIInChI=1S/C13H16F2N2/c14-11-2-1-3-12(15)13(11)16-9-6-7-17(8-9)10-4-5-10/h1-3,9-10,16H,4-8H2
InChIKeyVCPHEKIFGUZKCM-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.61
Rot. Bonds3

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

1-cyclopropyl-N-(2,6-difluorophenyl)pyrrolidin-3-amine (PubChem CID 62983179) has the molecular formula C13H16F2N2 and a molecular weight of 238.28 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2,6-difluorophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(2,6-difluorophenyl)pyrrolidin-3-amine
PubChem CID62983179
Molecular FormulaC13H16F2N2
Molecular Weight238.28 g/mol
Exact Mass238.13
IUPAC Name1-cyclopropyl-N-(2,6-difluorophenyl)pyrrolidin-3-amine
SMILESFc1cccc(F)c1NC1CCN(C2CC2)C1
InChIInChI=1S/C13H16F2N2/c14-11-2-1-3-12(15)13(11)16-9-6-7-17(8-9)10-4-5-10/h1-3,9-10,16H,4-8H2
InChIKeyVCPHEKIFGUZKCM-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-(2-fluoro-6-nitrophenyl)pyrrolidin-3-amine
CID 81309720
1-cyclopropyl-N-(2,3,5,6-tetrafluorophenyl)pyrrolidin-3-amine
CID 107643590
1-cyclopropyl-N-(2,4-difluorophenyl)pyrrolidin-3-amine
CID 55139840
N-(1-cyclopropylpyrrolidin-3-yl)-2,3-difluorobenzamide
CID 62661461
N-(2,6-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131807
1-(1-cyclopropylpiperidin-4-yl)-3-(2,6-difluorophenyl)urea
CID 86986878
N-(2,6-difluorophenyl)cycloheptanamine
CID 28974538
N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N'-(2,3-difluorophenyl)oxamide
CID 95635039
3-[(1-cyclopropylpyrrolidin-3-yl)amino]benzonitrile
CID 62981268
1-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrrolidin-3-amine
CID 79055593
2,6-dichloro-1-N-(1-cyclopropylpyrrolidin-3-yl)benzene-1,4-diamine
CID 106890228
2-[(1-cyclopropylpyrrolidin-3-yl)amino]-3-fluoropyridine-4-carboxylic acid
CID 105382170

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2,6-difluorophenyl)pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-(2,6-difluorophenyl)pyrrolidin-3-amine (CID 62983179) is 1-cyclopropyl-N-(2,6-difluorophenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-(2,6-difluorophenyl)pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-(2,6-difluorophenyl)pyrrolidin-3-amine is Fc1cccc(F)c1NC1CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-(2,6-difluorophenyl)pyrrolidin-3-amine?
The InChIKey is VCPHEKIFGUZKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2/c14-11-2-1-3-12(15)13(11)16-9-6-7-17(8-9)10-4-5-10/h1-3,9-10,16H,4-8H2.
What are the key properties of 1-cyclopropyl-N-(2,6-difluorophenyl)pyrrolidin-3-amine?
1-cyclopropyl-N-(2,6-difluorophenyl)pyrrolidin-3-amine has a molecular weight of 238.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2,6-difluorophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 62983179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).