3-amino-3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)propan-1-one

C13H16FNO2 — CID 116608834

IUPAC3-amino-3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)propan-1-one
SMILESCOc1cccc(C(=O)CC(N)C2CC2)c1F
InChIInChI=1S/C13H16FNO2/c1-17-12-4-2-3-9(13(12)14)11(16)7-10(15)8-5-6-8/h2-4,8,10H,5-7,15H2,1H3
InChIKeyRCFGFANFBMSRDZ-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.14
Rot. Bonds5

About 3-amino-3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)propan-1-one

3-amino-3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)propan-1-one (PubChem CID 116608834) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)propan-1-one
PubChem CID116608834
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name3-amino-3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)propan-1-one
SMILESCOc1cccc(C(=O)CC(N)C2CC2)c1F
InChIInChI=1S/C13H16FNO2/c1-17-12-4-2-3-9(13(12)14)11(16)7-10(15)8-5-6-8/h2-4,8,10H,5-7,15H2,1H3
InChIKeyRCFGFANFBMSRDZ-UHFFFAOYSA-N
XLogP2.14
TPSA52.32 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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-cyclopropyl-1-(2,3,4-trifluorophenyl)propan-1-one
CID 116608854
3-amino-1-(5-chloro-2-methoxyphenyl)-3-cyclopropylpropan-1-one
CID 116608850
3-bromo-1-(2-fluoro-3-methoxyphenyl)propan-1-one
CID 134658322
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone
CID 82807656
2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-one
CID 115792771
3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one
CID 115800224
6-amino-1-(2-fluoro-3-methoxyphenyl)-2-methylheptan-1-one
CID 116574297
3-cyclobutyl-3-hydroxy-1-(2-methoxyphenyl)propan-1-one
CID 102289193
1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanone
CID 82808065
1-(2-fluoro-3-methoxyphenyl)prop-2-en-1-one
CID 103453675
1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 82807864

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)propan-1-one?
The IUPAC name of 3-amino-3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)propan-1-one (CID 116608834) is 3-amino-3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-amino-3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-amino-3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)propan-1-one is COc1cccc(C(=O)CC(N)C2CC2)c1F.
What is the InChIKey of 3-amino-3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)propan-1-one?
The InChIKey is RCFGFANFBMSRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-17-12-4-2-3-9(13(12)14)11(16)7-10(15)8-5-6-8/h2-4,8,10H,5-7,15H2,1H3.
What are the key properties of 3-amino-3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)propan-1-one?
3-amino-3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)propan-1-one has a molecular weight of 237.27 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)propan-1-one is sourced from PubChem (CID 116608834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).