1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone

C15H21FN2O2 — CID 66052196

IUPAC1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
SMILESCN(C)CC1CC(O)CN1C(=O)Cc1ccccc1F
InChIInChI=1S/C15H21FN2O2/c1-17(2)9-12-8-13(19)10-18(12)15(20)7-11-5-3-4-6-14(11)16/h3-6,12-13,19H,7-10H2,1-2H3
InChIKeySMRFNDCDLXGZMN-UHFFFAOYSA-N
MW280.34 g/mol
LogP0.89
Rot. Bonds4

About 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone

1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone (PubChem CID 66052196) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
PubChem CID66052196
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
SMILESCN(C)CC1CC(O)CN1C(=O)Cc1ccccc1F
InChIInChI=1S/C15H21FN2O2/c1-17(2)9-12-8-13(19)10-18(12)15(20)7-11-5-3-4-6-14(11)16/h3-6,12-13,19H,7-10H2,1-2H3
InChIKeySMRFNDCDLXGZMN-UHFFFAOYSA-N
XLogP0.89
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone (CID 66052196) is 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone is CN(C)CC1CC(O)CN1C(=O)Cc1ccccc1F.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone?
The InChIKey is SMRFNDCDLXGZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-17(2)9-12-8-13(19)10-18(12)15(20)7-11-5-3-4-6-14(11)16/h3-6,12-13,19H,7-10H2,1-2H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone?
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone has a molecular weight of 280.34 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 66052196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).