4-amino-4-(2-fluorophenyl)-1-[2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one

C16H23FN2O2 — CID 69135159

IUPAC4-amino-4-(2-fluorophenyl)-1-[2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one
SMILESCOCC1CCCN1C(=O)CCC(N)c1ccccc1F
InChIInChI=1S/C16H23FN2O2/c1-21-11-12-5-4-10-19(12)16(20)9-8-15(18)13-6-2-3-7-14(13)17/h2-3,6-7,12,15H,4-5,8-11,18H2,1H3
InChIKeyVROVBMMIZNSOFJ-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.24
Rot. Bonds6

About 4-amino-4-(2-fluorophenyl)-1-[2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one

4-amino-4-(2-fluorophenyl)-1-[2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one (PubChem CID 69135159) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 4-amino-4-(2-fluorophenyl)-1-[2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-4-(2-fluorophenyl)-1-[2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one
PubChem CID69135159
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name4-amino-4-(2-fluorophenyl)-1-[2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one
SMILESCOCC1CCCN1C(=O)CCC(N)c1ccccc1F
InChIInChI=1S/C16H23FN2O2/c1-21-11-12-5-4-10-19(12)16(20)9-8-15(18)13-6-2-3-7-14(13)17/h2-3,6-7,12,15H,4-5,8-11,18H2,1H3
InChIKeyVROVBMMIZNSOFJ-UHFFFAOYSA-N
XLogP2.24
TPSA55.56 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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(2-fluorophenyl)-1-[2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 4-amino-4-(2-fluorophenyl)-1-[2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one (CID 69135159) is 4-amino-4-(2-fluorophenyl)-1-[2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 4-amino-4-(2-fluorophenyl)-1-[2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 4-amino-4-(2-fluorophenyl)-1-[2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one is COCC1CCCN1C(=O)CCC(N)c1ccccc1F.
What is the InChIKey of 4-amino-4-(2-fluorophenyl)-1-[2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is VROVBMMIZNSOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-21-11-12-5-4-10-19(12)16(20)9-8-15(18)13-6-2-3-7-14(13)17/h2-3,6-7,12,15H,4-5,8-11,18H2,1H3.
What are the key properties of 4-amino-4-(2-fluorophenyl)-1-[2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one?
4-amino-4-(2-fluorophenyl)-1-[2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 294.37 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(2-fluorophenyl)-1-[2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 69135159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).