1-[2-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]-2-hydroxyethanone

C13H16FNO2 — CID 70821765

IUPAC1-[2-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]-2-hydroxyethanone
SMILESCN(CC1CC1)c1c(F)cccc1C(=O)CO
InChIInChI=1S/C13H16FNO2/c1-15(7-9-5-6-9)13-10(12(17)8-16)3-2-4-11(13)14/h2-4,9,16H,5-8H2,1H3
InChIKeyMNGYIBMQHGTJGB-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.85
Rot. Bonds5

About 1-[2-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]-2-hydroxyethanone

1-[2-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]-2-hydroxyethanone (PubChem CID 70821765) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-[2-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[2-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]-2-hydroxyethanone
PubChem CID70821765
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name1-[2-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]-2-hydroxyethanone
SMILESCN(CC1CC1)c1c(F)cccc1C(=O)CO
InChIInChI=1S/C13H16FNO2/c1-15(7-9-5-6-9)13-10(12(17)8-16)3-2-4-11(13)14/h2-4,9,16H,5-8H2,1H3
InChIKeyMNGYIBMQHGTJGB-UHFFFAOYSA-N
XLogP1.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]-2-hydroxyethanone?
The IUPAC name of 1-[2-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]-2-hydroxyethanone (CID 70821765) is 1-[2-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]-2-hydroxyethanone.
What is the SMILES notation for 1-[2-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]-2-hydroxyethanone?
The canonical SMILES for 1-[2-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]-2-hydroxyethanone is CN(CC1CC1)c1c(F)cccc1C(=O)CO.
What is the InChIKey of 1-[2-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]-2-hydroxyethanone?
The InChIKey is MNGYIBMQHGTJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-15(7-9-5-6-9)13-10(12(17)8-16)3-2-4-11(13)14/h2-4,9,16H,5-8H2,1H3.
What are the key properties of 1-[2-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]-2-hydroxyethanone?
1-[2-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]-2-hydroxyethanone has a molecular weight of 237.27 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]-2-hydroxyethanone is sourced from PubChem (CID 70821765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).