1-[2-(3-ethylpyrrolidin-1-yl)-3-fluorophenyl]propan-2-amine

C15H23FN2 — CID 114070145

IUPAC1-[2-(3-ethylpyrrolidin-1-yl)-3-fluorophenyl]propan-2-amine
SMILESCCC1CCN(c2c(F)cccc2CC(C)N)C1
InChIInChI=1S/C15H23FN2/c1-3-12-7-8-18(10-12)15-13(9-11(2)17)5-4-6-14(15)16/h4-6,11-12H,3,7-10,17H2,1-2H3
InChIKeyVENQOZRHMUVJAB-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.95
Rot. Bonds4

About 1-[2-(3-ethylpyrrolidin-1-yl)-3-fluorophenyl]propan-2-amine

1-[2-(3-ethylpyrrolidin-1-yl)-3-fluorophenyl]propan-2-amine (PubChem CID 114070145) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-[2-(3-ethylpyrrolidin-1-yl)-3-fluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(3-ethylpyrrolidin-1-yl)-3-fluorophenyl]propan-2-amine
PubChem CID114070145
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-[2-(3-ethylpyrrolidin-1-yl)-3-fluorophenyl]propan-2-amine
SMILESCCC1CCN(c2c(F)cccc2CC(C)N)C1
InChIInChI=1S/C15H23FN2/c1-3-12-7-8-18(10-12)15-13(9-11(2)17)5-4-6-14(15)16/h4-6,11-12H,3,7-10,17H2,1-2H3
InChIKeyVENQOZRHMUVJAB-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethylpyrrolidin-1-yl)-3-fluorophenyl]propan-2-amine?
The IUPAC name of 1-[2-(3-ethylpyrrolidin-1-yl)-3-fluorophenyl]propan-2-amine (CID 114070145) is 1-[2-(3-ethylpyrrolidin-1-yl)-3-fluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(3-ethylpyrrolidin-1-yl)-3-fluorophenyl]propan-2-amine?
The canonical SMILES for 1-[2-(3-ethylpyrrolidin-1-yl)-3-fluorophenyl]propan-2-amine is CCC1CCN(c2c(F)cccc2CC(C)N)C1.
What is the InChIKey of 1-[2-(3-ethylpyrrolidin-1-yl)-3-fluorophenyl]propan-2-amine?
The InChIKey is VENQOZRHMUVJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-12-7-8-18(10-12)15-13(9-11(2)17)5-4-6-14(15)16/h4-6,11-12H,3,7-10,17H2,1-2H3.
What are the key properties of 1-[2-(3-ethylpyrrolidin-1-yl)-3-fluorophenyl]propan-2-amine?
1-[2-(3-ethylpyrrolidin-1-yl)-3-fluorophenyl]propan-2-amine has a molecular weight of 250.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethylpyrrolidin-1-yl)-3-fluorophenyl]propan-2-amine is sourced from PubChem (CID 114070145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).