1-[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]propan-2-amine

C15H23FN2 — CID 55236984

IUPAC1-[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]propan-2-amine
SMILESCCC1CCCN1c1ccc(F)cc1CC(C)N
InChIInChI=1S/C15H23FN2/c1-3-14-5-4-8-18(14)15-7-6-13(16)10-12(15)9-11(2)17/h6-7,10-11,14H,3-5,8-9,17H2,1-2H3
InChIKeyRGVZXCQILFGURL-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.09
Rot. Bonds4

About 1-[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]propan-2-amine

1-[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]propan-2-amine (PubChem CID 55236984) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]propan-2-amine
PubChem CID55236984
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]propan-2-amine
SMILESCCC1CCCN1c1ccc(F)cc1CC(C)N
InChIInChI=1S/C15H23FN2/c1-3-14-5-4-8-18(14)15-7-6-13(16)10-12(15)9-11(2)17/h6-7,10-11,14H,3-5,8-9,17H2,1-2H3
InChIKeyRGVZXCQILFGURL-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 54886079
1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]propan-2-amine
CID 63785668
[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methanamine
CID 43313937
N-[[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 63059353
N-[[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 43313933
(1R)-1-[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 63368240
1-[4-bromo-2-(2-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 63785737
1-[4-chloro-2-(2-ethylazepan-1-yl)phenyl]propan-2-amine
CID 114862216
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorophenyl]propan-2-amine
CID 115562562
1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]propan-2-amine
CID 102968817
1-[2-(4-cyclopropylpiperazin-1-yl)-5-fluorophenyl]propan-2-amine
CID 63815512
1-[2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]propan-2-amine
CID 63794163

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]propan-2-amine?
The IUPAC name of 1-[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]propan-2-amine (CID 55236984) is 1-[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]propan-2-amine?
The canonical SMILES for 1-[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]propan-2-amine is CCC1CCCN1c1ccc(F)cc1CC(C)N.
What is the InChIKey of 1-[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]propan-2-amine?
The InChIKey is RGVZXCQILFGURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-14-5-4-8-18(14)15-7-6-13(16)10-12(15)9-11(2)17/h6-7,10-11,14H,3-5,8-9,17H2,1-2H3.
What are the key properties of 1-[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]propan-2-amine?
1-[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]propan-2-amine has a molecular weight of 250.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]propan-2-amine is sourced from PubChem (CID 55236984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).