1-cyclopropyl-N-(3-fluoro-5-nitrophenyl)-5-methylpyrrolidin-3-amine

C14H18FN3O2 — CID 107334651

IUPAC1-cyclopropyl-N-(3-fluoro-5-nitrophenyl)-5-methylpyrrolidin-3-amine
SMILESCC1CC(Nc2cc(F)cc([N+](=O)[O-])c2)CN1C1CC1
InChIInChI=1S/C14H18FN3O2/c1-9-4-12(8-17(9)13-2-3-13)16-11-5-10(15)6-14(7-11)18(19)20/h5-7,9,12-13,16H,2-4,8H2,1H3
InChIKeyFDKZTVSWKQGXJX-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.77
Rot. Bonds4

About 1-cyclopropyl-N-(3-fluoro-5-nitrophenyl)-5-methylpyrrolidin-3-amine

1-cyclopropyl-N-(3-fluoro-5-nitrophenyl)-5-methylpyrrolidin-3-amine (PubChem CID 107334651) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-cyclopropyl-N-(3-fluoro-5-nitrophenyl)-5-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(3-fluoro-5-nitrophenyl)-5-methylpyrrolidin-3-amine
PubChem CID107334651
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name1-cyclopropyl-N-(3-fluoro-5-nitrophenyl)-5-methylpyrrolidin-3-amine
SMILESCC1CC(Nc2cc(F)cc([N+](=O)[O-])c2)CN1C1CC1
InChIInChI=1S/C14H18FN3O2/c1-9-4-12(8-17(9)13-2-3-13)16-11-5-10(15)6-14(7-11)18(19)20/h5-7,9,12-13,16H,2-4,8H2,1H3
InChIKeyFDKZTVSWKQGXJX-UHFFFAOYSA-N
XLogP2.77
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.77
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

N-(3-fluoro-5-nitrophenyl)-2-methyloxan-4-amine
CID 107334492
3-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)-5-nitroaniline
CID 107334690
N-(3-fluoro-5-nitrophenyl)adamantan-2-amine
CID 107334623
2,6-dichloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol
CID 107679322
N-(3,5-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466113
1-cyclopropyl-5-methyl-N-(4-methylsulfonyl-2-nitrophenyl)pyrrolidin-3-amine
CID 133347843
N-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131668
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-nitropyridin-2-amine
CID 133347869
1-cyclopropyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine
CID 115871623
1-cyclopropyl-N-(4-iodophenyl)-5-methylpyrrolidin-3-amine
CID 113491638
3-fluoro-N-[(4-methylcyclohexyl)methyl]-5-nitroaniline
CID 55224773
1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine
CID 115871509

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(3-fluoro-5-nitrophenyl)-5-methylpyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-(3-fluoro-5-nitrophenyl)-5-methylpyrrolidin-3-amine (CID 107334651) is 1-cyclopropyl-N-(3-fluoro-5-nitrophenyl)-5-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-(3-fluoro-5-nitrophenyl)-5-methylpyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-(3-fluoro-5-nitrophenyl)-5-methylpyrrolidin-3-amine is CC1CC(Nc2cc(F)cc([N+](=O)[O-])c2)CN1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(3-fluoro-5-nitrophenyl)-5-methylpyrrolidin-3-amine?
The InChIKey is FDKZTVSWKQGXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-9-4-12(8-17(9)13-2-3-13)16-11-5-10(15)6-14(7-11)18(19)20/h5-7,9,12-13,16H,2-4,8H2,1H3.
What are the key properties of 1-cyclopropyl-N-(3-fluoro-5-nitrophenyl)-5-methylpyrrolidin-3-amine?
1-cyclopropyl-N-(3-fluoro-5-nitrophenyl)-5-methylpyrrolidin-3-amine has a molecular weight of 279.31 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(3-fluoro-5-nitrophenyl)-5-methylpyrrolidin-3-amine is sourced from PubChem (CID 107334651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).