3-amino-1-[2-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-one

C13H16FNO2 — CID 117346682

IUPAC3-amino-1-[2-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-one
SMILESNCCC(=O)c1cccc(F)c1OCC1CC1
InChIInChI=1S/C13H16FNO2/c14-11-3-1-2-10(12(16)6-7-15)13(11)17-8-9-4-5-9/h1-3,9H,4-8,15H2
InChIKeySGFMYJNZUBRDTB-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.15
Rot. Bonds6

About 3-amino-1-[2-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-one

3-amino-1-[2-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-one (PubChem CID 117346682) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 3-amino-1-[2-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[2-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-one
PubChem CID117346682
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name3-amino-1-[2-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-one
SMILESNCCC(=O)c1cccc(F)c1OCC1CC1
InChIInChI=1S/C13H16FNO2/c14-11-3-1-2-10(12(16)6-7-15)13(11)17-8-9-4-5-9/h1-3,9H,4-8,15H2
InChIKeySGFMYJNZUBRDTB-UHFFFAOYSA-N
XLogP2.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethoxy)-3-fluorobenzoic acid
CID 62650953
2-(cyclohexylmethoxy)-3-fluorobenzoic acid
CID 62650140
3-fluoro-2-(oxan-4-ylmethoxy)benzoic acid
CID 62650307
1-bromo-2-(cyclopropylmethoxy)-3-fluorobenzene
CID 59382984
3-amino-1-(3-fluoro-2-hydroxyphenyl)propan-1-one
CID 82601573
2-(cyclopropylmethoxy)-3-fluorobenzenesulfonyl chloride
CID 84711266
1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethanone
CID 117314118
2-[2-(cyclohexylmethoxy)-3-fluorophenyl]ethanamine
CID 112615272
1-(3-fluoro-2-methoxyphenyl)butan-1-one
CID 66969417
3-amino-1-(4-fluoro-2,3-dimethoxyphenyl)propan-1-one
CID 117326576
3-amino-1-[3-[(4-hydroxycyclohexyl)methoxy]phenyl]propan-1-one
CID 168838033
3-amino-1-(2-cyclopropyloxy-3-methoxyphenyl)propan-1-one
CID 117342156

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-one?
The IUPAC name of 3-amino-1-[2-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-one (CID 117346682) is 3-amino-1-[2-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-one.
What is the SMILES notation for 3-amino-1-[2-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-one?
The canonical SMILES for 3-amino-1-[2-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-one is NCCC(=O)c1cccc(F)c1OCC1CC1.
What is the InChIKey of 3-amino-1-[2-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-one?
The InChIKey is SGFMYJNZUBRDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-11-3-1-2-10(12(16)6-7-15)13(11)17-8-9-4-5-9/h1-3,9H,4-8,15H2.
What are the key properties of 3-amino-1-[2-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-one?
3-amino-1-[2-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-one has a molecular weight of 237.27 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-one is sourced from PubChem (CID 117346682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).