1-cyclopropyl-N-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidin-3-amine

C14H18FN3O2 — CID 107349090

IUPAC1-cyclopropyl-N-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidin-3-amine
SMILESO=[N+]([O-])c1cccc(CNC2CCN(C3CC3)C2)c1F
InChIInChI=1S/C14H18FN3O2/c15-14-10(2-1-3-13(14)18(19)20)8-16-11-6-7-17(9-11)12-4-5-12/h1-3,11-12,16H,4-9H2
InChIKeyMMDUGMQKPBSCOA-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.06
Rot. Bonds5

About 1-cyclopropyl-N-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidin-3-amine

1-cyclopropyl-N-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidin-3-amine (PubChem CID 107349090) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidin-3-amine
PubChem CID107349090
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name1-cyclopropyl-N-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidin-3-amine
SMILESO=[N+]([O-])c1cccc(CNC2CCN(C3CC3)C2)c1F
InChIInChI=1S/C14H18FN3O2/c15-14-10(2-1-3-13(14)18(19)20)8-16-11-6-7-17(9-11)12-4-5-12/h1-3,11-12,16H,4-9H2
InChIKeyMMDUGMQKPBSCOA-UHFFFAOYSA-N
XLogP2.06
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.06
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-[(2-fluoro-3-nitrophenyl)methyl]-1-methylpiperidin-4-amine
CID 107348937
5-[(2-fluoro-3-nitrophenyl)methylamino]-1-methylpiperidin-2-one
CID 107349218
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-nitrophenyl)acetamide
CID 94795717
1-cyclopropyl-N-(2-fluoro-6-nitrophenyl)pyrrolidin-3-amine
CID 81309720
N-[(2-fluoro-3-nitrophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 107348903
N-[(2-fluoro-3-nitrophenyl)methyl]-3-methylcyclopentan-1-amine
CID 107349489
N-[(4-chloro-3-nitrophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine
CID 78942716
5-[(2-fluoro-3-nitrophenyl)methylamino]piperidin-2-one
CID 107349177
1-cyclopropyl-N-[(3-fluoro-5-nitrophenyl)methyl]pyrrolidin-3-amine
CID 115980416
N-[1-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidin-3-yl]acetamide
CID 107348405
N-cyclopropyl-2-[(2-fluoro-3-nitrophenyl)methylamino]acetamide
CID 107348962
(1S)-1-cyclopentyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 107349341

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidin-3-amine (CID 107349090) is 1-cyclopropyl-N-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidin-3-amine is O=[N+]([O-])c1cccc(CNC2CCN(C3CC3)C2)c1F.
What is the InChIKey of 1-cyclopropyl-N-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidin-3-amine?
The InChIKey is MMDUGMQKPBSCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c15-14-10(2-1-3-13(14)18(19)20)8-16-11-6-7-17(9-11)12-4-5-12/h1-3,11-12,16H,4-9H2.
What are the key properties of 1-cyclopropyl-N-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidin-3-amine?
1-cyclopropyl-N-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidin-3-amine has a molecular weight of 279.31 g/mol, XLogP of 2.06, 5 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-3-nitrophenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 107349090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).