1-cyclopropyl-2-(2-fluorophenyl)-2-(propylamino)ethanone

C14H18FNO — CID 158333161

IUPAC1-cyclopropyl-2-(2-fluorophenyl)-2-(propylamino)ethanone
SMILESCCCNC(C(=O)C1CC1)c1ccccc1F
InChIInChI=1S/C14H18FNO/c1-2-9-16-13(14(17)10-7-8-10)11-5-3-4-6-12(11)15/h3-6,10,13,16H,2,7-9H2,1H3
InChIKeyGQGHDBNQSMJASB-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.85
Rot. Bonds6

About 1-cyclopropyl-2-(2-fluorophenyl)-2-(propylamino)ethanone

1-cyclopropyl-2-(2-fluorophenyl)-2-(propylamino)ethanone (PubChem CID 158333161) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-fluorophenyl)-2-(propylamino)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-fluorophenyl)-2-(propylamino)ethanone
PubChem CID158333161
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-cyclopropyl-2-(2-fluorophenyl)-2-(propylamino)ethanone
SMILESCCCNC(C(=O)C1CC1)c1ccccc1F
InChIInChI=1S/C14H18FNO/c1-2-9-16-13(14(17)10-7-8-10)11-5-3-4-6-12(11)15/h3-6,10,13,16H,2,7-9H2,1H3
InChIKeyGQGHDBNQSMJASB-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2-fluorophenyl)-2-(propylamino)ethanone?
The IUPAC name of 1-cyclopropyl-2-(2-fluorophenyl)-2-(propylamino)ethanone (CID 158333161) is 1-cyclopropyl-2-(2-fluorophenyl)-2-(propylamino)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(2-fluorophenyl)-2-(propylamino)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(2-fluorophenyl)-2-(propylamino)ethanone is CCCNC(C(=O)C1CC1)c1ccccc1F.
What is the InChIKey of 1-cyclopropyl-2-(2-fluorophenyl)-2-(propylamino)ethanone?
The InChIKey is GQGHDBNQSMJASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-2-9-16-13(14(17)10-7-8-10)11-5-3-4-6-12(11)15/h3-6,10,13,16H,2,7-9H2,1H3.
What are the key properties of 1-cyclopropyl-2-(2-fluorophenyl)-2-(propylamino)ethanone?
1-cyclopropyl-2-(2-fluorophenyl)-2-(propylamino)ethanone has a molecular weight of 235.30 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-fluorophenyl)-2-(propylamino)ethanone is sourced from PubChem (CID 158333161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).