1-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propyl]pyrrolidin-2-one

C16H23FN2O2 — CID 60931344

IUPAC1-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propyl]pyrrolidin-2-one
SMILESCOc1ccc(C(C)NC(C)CN2CCCC2=O)cc1F
InChIInChI=1S/C16H23FN2O2/c1-11(10-19-8-4-5-16(19)20)18-12(2)13-6-7-15(21-3)14(17)9-13/h6-7,9,11-12,18H,4-5,8,10H2,1-3H3
InChIKeyAQEMZGFJCAGCHQ-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.50
Rot. Bonds6

About 1-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propyl]pyrrolidin-2-one

1-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propyl]pyrrolidin-2-one (PubChem CID 60931344) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propyl]pyrrolidin-2-one
PubChem CID60931344
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propyl]pyrrolidin-2-one
SMILESCOc1ccc(C(C)NC(C)CN2CCCC2=O)cc1F
InChIInChI=1S/C16H23FN2O2/c1-11(10-19-8-4-5-16(19)20)18-12(2)13-6-7-15(21-3)14(17)9-13/h6-7,9,11-12,18H,4-5,8,10H2,1-3H3
InChIKeyAQEMZGFJCAGCHQ-UHFFFAOYSA-N
XLogP2.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 122569948
1-[2-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]pyrrolidin-2-one
CID 60930710
1-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]pyrrolidin-2-one
CID 60936415
1-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]propyl]pyrrolidin-2-one
CID 81329590
1-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 55933420
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 83076160
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pent-4-yn-2-amine
CID 115725240
1-ethyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111382398
1-[2-[1-(5-chlorothiophen-3-yl)ethylamino]propyl]pyrrolidin-2-one
CID 102976460
(1R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350630
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61471655
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]but-3-en-2-amine
CID 115727846

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propyl]pyrrolidin-2-one (CID 60931344) is 1-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propyl]pyrrolidin-2-one is COc1ccc(C(C)NC(C)CN2CCCC2=O)cc1F.
What is the InChIKey of 1-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propyl]pyrrolidin-2-one?
The InChIKey is AQEMZGFJCAGCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-11(10-19-8-4-5-16(19)20)18-12(2)13-6-7-15(21-3)14(17)9-13/h6-7,9,11-12,18H,4-5,8,10H2,1-3H3.
What are the key properties of 1-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propyl]pyrrolidin-2-one?
1-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propyl]pyrrolidin-2-one has a molecular weight of 294.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 60931344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).