2-amino-1-[3-(1-methoxycyclopropyl)phenyl]ethanone

C12H15NO2 — CID 117115504

IUPAC2-amino-1-[3-(1-methoxycyclopropyl)phenyl]ethanone
SMILESCOC1(c2cccc(C(=O)CN)c2)CC1
InChIInChI=1S/C12H15NO2/c1-15-12(5-6-12)10-4-2-3-9(7-10)11(14)8-13/h2-4,7H,5-6,8,13H2,1H3
InChIKeyXORNUBSRENTHCC-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.46
Rot. Bonds4

About 2-amino-1-[3-(1-methoxycyclopropyl)phenyl]ethanone

2-amino-1-[3-(1-methoxycyclopropyl)phenyl]ethanone (PubChem CID 117115504) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-amino-1-[3-(1-methoxycyclopropyl)phenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[3-(1-methoxycyclopropyl)phenyl]ethanone
PubChem CID117115504
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-amino-1-[3-(1-methoxycyclopropyl)phenyl]ethanone
SMILESCOC1(c2cccc(C(=O)CN)c2)CC1
InChIInChI=1S/C12H15NO2/c1-15-12(5-6-12)10-4-2-3-9(7-10)11(14)8-13/h2-4,7H,5-6,8,13H2,1H3
InChIKeyXORNUBSRENTHCC-UHFFFAOYSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(1-methoxycyclopropyl)phenyl]ethanone?
The IUPAC name of 2-amino-1-[3-(1-methoxycyclopropyl)phenyl]ethanone (CID 117115504) is 2-amino-1-[3-(1-methoxycyclopropyl)phenyl]ethanone.
What is the SMILES notation for 2-amino-1-[3-(1-methoxycyclopropyl)phenyl]ethanone?
The canonical SMILES for 2-amino-1-[3-(1-methoxycyclopropyl)phenyl]ethanone is COC1(c2cccc(C(=O)CN)c2)CC1.
What is the InChIKey of 2-amino-1-[3-(1-methoxycyclopropyl)phenyl]ethanone?
The InChIKey is XORNUBSRENTHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-15-12(5-6-12)10-4-2-3-9(7-10)11(14)8-13/h2-4,7H,5-6,8,13H2,1H3.
What are the key properties of 2-amino-1-[3-(1-methoxycyclopropyl)phenyl]ethanone?
2-amino-1-[3-(1-methoxycyclopropyl)phenyl]ethanone has a molecular weight of 205.26 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(1-methoxycyclopropyl)phenyl]ethanone is sourced from PubChem (CID 117115504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).