1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanone

C13H17NO2 — CID 117108267

IUPAC1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc(C2(OC)CC2)cc1
InChIInChI=1S/C13H17NO2/c1-14-9-12(15)10-3-5-11(6-4-10)13(16-2)7-8-13/h3-6,14H,7-9H2,1-2H3
InChIKeyUNTIVJBGMMJLNJ-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.72
Rot. Bonds5

About 1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanone

1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanone (PubChem CID 117108267) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanone
PubChem CID117108267
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc(C2(OC)CC2)cc1
InChIInChI=1S/C13H17NO2/c1-14-9-12(15)10-3-5-11(6-4-10)13(16-2)7-8-13/h3-6,14H,7-9H2,1-2H3
InChIKeyUNTIVJBGMMJLNJ-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-methoxycyclopropyl)phenyl]-2-oxoacetic acid
CID 117109005
1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanol
CID 117108149
3-[4-(1-methoxycyclopropyl)phenyl]propanoic acid
CID 117114832
1-(4-cyclobutylphenyl)-2-(methylamino)ethanone
CID 116553849
ethyl 2-hydroxy-2-[4-(1-methoxycyclopropyl)phenyl]acetate
CID 117108759
1-(4-cyclohexylphenyl)-2-(methylamino)ethanone
CID 82082215
1-[4-(1,2-dihydroxyethyl)phenyl]-2-(methylamino)ethanone
CID 117298432
1-[4-(1-methoxycyclopropyl)phenyl]cyclopropan-1-amine
CID 117112388
2-(methylamino)-1-(4-propan-2-ylsulfanylphenyl)ethanone
CID 96672644
2-(methylamino)-1-spiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-ylethanone
CID 117370349
1-[4-[2-(methylamino)acetyl]phenyl]piperazine-2,5-dione
CID 117407059
4-methyl-3-[4-[2-(methylamino)acetyl]phenyl]-1H-imidazol-2-one
CID 117365072

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanone (CID 117108267) is 1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanone is CNCC(=O)c1ccc(C2(OC)CC2)cc1.
What is the InChIKey of 1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanone?
The InChIKey is UNTIVJBGMMJLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-14-9-12(15)10-3-5-11(6-4-10)13(16-2)7-8-13/h3-6,14H,7-9H2,1-2H3.
What are the key properties of 1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanone?
1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanone has a molecular weight of 219.28 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanone is sourced from PubChem (CID 117108267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).