2-fluoro-5-pyrrolidin-1-ylaniline

C10H13FN2 — CID 22636148

IUPAC2-fluoro-5-pyrrolidin-1-ylaniline
SMILESNc1cc(N2CCCC2)ccc1F
InChIInChI=1S/C10H13FN2/c11-9-4-3-8(7-10(9)12)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2
InChIKeyOAGRBDDBSDUAAT-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.01
Rot. Bonds1

About 2-fluoro-5-pyrrolidin-1-ylaniline

2-fluoro-5-pyrrolidin-1-ylaniline (PubChem CID 22636148) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 2-fluoro-5-pyrrolidin-1-ylaniline.

Molecular Properties

Compound Name2-fluoro-5-pyrrolidin-1-ylaniline
PubChem CID22636148
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name2-fluoro-5-pyrrolidin-1-ylaniline
SMILESNc1cc(N2CCCC2)ccc1F
InChIInChI=1S/C10H13FN2/c11-9-4-3-8(7-10(9)12)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2
InChIKeyOAGRBDDBSDUAAT-UHFFFAOYSA-N
XLogP2.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-Fluorophenyl)piperazine
CID 70529
1-(3-Fluorophenyl)piperazine
CID 77418
1-(4-Fluorophenyl)piperazine
CID 75260
3-Amino-N,N,N-trimethylbenzenaminium
CID 5579
3-(4-Methylpiperazin-1-yl)aniline
CID 11564613
1,3-Benzenediamine, N1,N1,N3,N3-tetramethyl-
CID 89715
2-(Pyrrolidin-1-yl)aniline
CID 937501
(S)-(+)-2-(Anilinomethyl)pyrrolidine
CID 6950385
1-Phenylpyrrolidine
CID 77726
N,N-dimethyl-m-phenylenediamine
CID 76084
N-(3-fluorophenyl)-1-methylpiperidin-4-amine
CID 868430
N-(2-fluorophenyl)piperidin-4-amine
CID 4778194

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-pyrrolidin-1-ylaniline?
The IUPAC name of 2-fluoro-5-pyrrolidin-1-ylaniline (CID 22636148) is 2-fluoro-5-pyrrolidin-1-ylaniline.
What is the SMILES notation for 2-fluoro-5-pyrrolidin-1-ylaniline?
The canonical SMILES for 2-fluoro-5-pyrrolidin-1-ylaniline is Nc1cc(N2CCCC2)ccc1F.
What is the InChIKey of 2-fluoro-5-pyrrolidin-1-ylaniline?
The InChIKey is OAGRBDDBSDUAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c11-9-4-3-8(7-10(9)12)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2.
What are the key properties of 2-fluoro-5-pyrrolidin-1-ylaniline?
2-fluoro-5-pyrrolidin-1-ylaniline has a molecular weight of 180.23 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-pyrrolidin-1-ylaniline is sourced from PubChem (CID 22636148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).