4-fluoro-2-(2-phenylpyrrolidin-1-yl)aniline

C16H17FN2 — CID 62377463

IUPAC4-fluoro-2-(2-phenylpyrrolidin-1-yl)aniline
SMILESNc1ccc(F)cc1N1CCCC1c1ccccc1
InChIInChI=1S/C16H17FN2/c17-13-8-9-14(18)16(11-13)19-10-4-7-15(19)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,15H,4,7,10,18H2
InChIKeyXOCKPTDFWUFJTA-UHFFFAOYSA-N
MW256.32 g/mol
LogP3.75
Rot. Bonds2

About 4-fluoro-2-(2-phenylpyrrolidin-1-yl)aniline

4-fluoro-2-(2-phenylpyrrolidin-1-yl)aniline (PubChem CID 62377463) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 4-fluoro-2-(2-phenylpyrrolidin-1-yl)aniline.

Molecular Properties

Compound Name4-fluoro-2-(2-phenylpyrrolidin-1-yl)aniline
PubChem CID62377463
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC Name4-fluoro-2-(2-phenylpyrrolidin-1-yl)aniline
SMILESNc1ccc(F)cc1N1CCCC1c1ccccc1
InChIInChI=1S/C16H17FN2/c17-13-8-9-14(18)16(11-13)19-10-4-7-15(19)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,15H,4,7,10,18H2
InChIKeyXOCKPTDFWUFJTA-UHFFFAOYSA-N
XLogP3.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-phenylpyrrolidin-1-yl)aniline?
The IUPAC name of 4-fluoro-2-(2-phenylpyrrolidin-1-yl)aniline (CID 62377463) is 4-fluoro-2-(2-phenylpyrrolidin-1-yl)aniline.
What is the SMILES notation for 4-fluoro-2-(2-phenylpyrrolidin-1-yl)aniline?
The canonical SMILES for 4-fluoro-2-(2-phenylpyrrolidin-1-yl)aniline is Nc1ccc(F)cc1N1CCCC1c1ccccc1.
What is the InChIKey of 4-fluoro-2-(2-phenylpyrrolidin-1-yl)aniline?
The InChIKey is XOCKPTDFWUFJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2/c17-13-8-9-14(18)16(11-13)19-10-4-7-15(19)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,15H,4,7,10,18H2.
What are the key properties of 4-fluoro-2-(2-phenylpyrrolidin-1-yl)aniline?
4-fluoro-2-(2-phenylpyrrolidin-1-yl)aniline has a molecular weight of 256.32 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-phenylpyrrolidin-1-yl)aniline is sourced from PubChem (CID 62377463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).