1-fluoro-3-(4-pyrrolidin-1-ylphenyl)pentan-2-amine

C15H23FN2 — CID 134316630

IUPAC1-fluoro-3-(4-pyrrolidin-1-ylphenyl)pentan-2-amine
SMILESCCC(c1ccc(N2CCCC2)cc1)C(N)CF
InChIInChI=1S/C15H23FN2/c1-2-14(15(17)11-16)12-5-7-13(8-6-12)18-9-3-4-10-18/h5-8,14-15H,2-4,9-11,17H2,1H3
InChIKeyBSJPXDGPBXJFGC-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.08
Rot. Bonds5

About 1-fluoro-3-(4-pyrrolidin-1-ylphenyl)pentan-2-amine

1-fluoro-3-(4-pyrrolidin-1-ylphenyl)pentan-2-amine (PubChem CID 134316630) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-fluoro-3-(4-pyrrolidin-1-ylphenyl)pentan-2-amine.

Molecular Properties

Compound Name1-fluoro-3-(4-pyrrolidin-1-ylphenyl)pentan-2-amine
PubChem CID134316630
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-fluoro-3-(4-pyrrolidin-1-ylphenyl)pentan-2-amine
SMILESCCC(c1ccc(N2CCCC2)cc1)C(N)CF
InChIInChI=1S/C15H23FN2/c1-2-14(15(17)11-16)12-5-7-13(8-6-12)18-9-3-4-10-18/h5-8,14-15H,2-4,9-11,17H2,1H3
InChIKeyBSJPXDGPBXJFGC-UHFFFAOYSA-N
XLogP3.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(4-pyrrolidin-1-ylphenyl)pentan-2-amine?
The IUPAC name of 1-fluoro-3-(4-pyrrolidin-1-ylphenyl)pentan-2-amine (CID 134316630) is 1-fluoro-3-(4-pyrrolidin-1-ylphenyl)pentan-2-amine.
What is the SMILES notation for 1-fluoro-3-(4-pyrrolidin-1-ylphenyl)pentan-2-amine?
The canonical SMILES for 1-fluoro-3-(4-pyrrolidin-1-ylphenyl)pentan-2-amine is CCC(c1ccc(N2CCCC2)cc1)C(N)CF.
What is the InChIKey of 1-fluoro-3-(4-pyrrolidin-1-ylphenyl)pentan-2-amine?
The InChIKey is BSJPXDGPBXJFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-2-14(15(17)11-16)12-5-7-13(8-6-12)18-9-3-4-10-18/h5-8,14-15H,2-4,9-11,17H2,1H3.
What are the key properties of 1-fluoro-3-(4-pyrrolidin-1-ylphenyl)pentan-2-amine?
1-fluoro-3-(4-pyrrolidin-1-ylphenyl)pentan-2-amine has a molecular weight of 250.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(4-pyrrolidin-1-ylphenyl)pentan-2-amine is sourced from PubChem (CID 134316630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).