1-cyclopropyl-N-(2-fluoro-6-nitrophenyl)pyrrolidin-3-amine

C13H16FN3O2 — CID 81309720

IUPAC1-cyclopropyl-N-(2-fluoro-6-nitrophenyl)pyrrolidin-3-amine
SMILESO=[N+]([O-])c1cccc(F)c1NC1CCN(C2CC2)C1
InChIInChI=1S/C13H16FN3O2/c14-11-2-1-3-12(17(18)19)13(11)15-9-6-7-16(8-9)10-4-5-10/h1-3,9-10,15H,4-8H2
InChIKeyMAWGWRMRJQYZGV-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.38
Rot. Bonds4

About 1-cyclopropyl-N-(2-fluoro-6-nitrophenyl)pyrrolidin-3-amine

1-cyclopropyl-N-(2-fluoro-6-nitrophenyl)pyrrolidin-3-amine (PubChem CID 81309720) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2-fluoro-6-nitrophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(2-fluoro-6-nitrophenyl)pyrrolidin-3-amine
PubChem CID81309720
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name1-cyclopropyl-N-(2-fluoro-6-nitrophenyl)pyrrolidin-3-amine
SMILESO=[N+]([O-])c1cccc(F)c1NC1CCN(C2CC2)C1
InChIInChI=1S/C13H16FN3O2/c14-11-2-1-3-12(17(18)19)13(11)15-9-6-7-16(8-9)10-4-5-10/h1-3,9-10,15H,4-8H2
InChIKeyMAWGWRMRJQYZGV-UHFFFAOYSA-N
XLogP2.38
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-N-(2,6-difluorophenyl)pyrrolidin-3-amine
CID 62983179
N-(2-fluoro-6-nitrophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 81305631
1-cyclopropyl-N-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidin-3-amine
CID 107349090
N-(1-cyclopropylpyrrolidin-3-yl)-4-nitro-1,3-benzoxazol-2-amine
CID 79883355
N-(2-fluoro-6-nitrophenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 81310161
N-(2-fluoro-6-nitrophenyl)oxepan-4-amine
CID 81310438
N-(3-chloro-2-nitrophenyl)-1-cyclopropylpyrrolidin-3-amine
CID 104835856
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-nitrophenyl)acetamide
CID 94795717
1-cyclopropyl-N-(2,3,5,6-tetrafluorophenyl)pyrrolidin-3-amine
CID 107643590
3-N-(1-cyclopropylpyrrolidin-3-yl)-1-N-ethyl-2-nitrobenzene-1,3-diamine
CID 80792318
N-(dicyclopropylmethyl)-2-fluoro-6-nitroaniline
CID 81309811
1-cyclopentyl-N-(3-methyl-4-nitrophenyl)pyrrolidin-3-amine
CID 133320329

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2-fluoro-6-nitrophenyl)pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-(2-fluoro-6-nitrophenyl)pyrrolidin-3-amine (CID 81309720) is 1-cyclopropyl-N-(2-fluoro-6-nitrophenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-(2-fluoro-6-nitrophenyl)pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-(2-fluoro-6-nitrophenyl)pyrrolidin-3-amine is O=[N+]([O-])c1cccc(F)c1NC1CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-(2-fluoro-6-nitrophenyl)pyrrolidin-3-amine?
The InChIKey is MAWGWRMRJQYZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c14-11-2-1-3-12(17(18)19)13(11)15-9-6-7-16(8-9)10-4-5-10/h1-3,9-10,15H,4-8H2.
What are the key properties of 1-cyclopropyl-N-(2-fluoro-6-nitrophenyl)pyrrolidin-3-amine?
1-cyclopropyl-N-(2-fluoro-6-nitrophenyl)pyrrolidin-3-amine has a molecular weight of 265.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2-fluoro-6-nitrophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 81309720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).