1-(3-cyclopropyloxyphenyl)-2-(methylamino)propan-1-one

C13H17NO2 — CID 114523725

IUPAC1-(3-cyclopropyloxyphenyl)-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)c1cccc(OC2CC2)c1
InChIInChI=1S/C13H17NO2/c1-9(14-2)13(15)10-4-3-5-12(8-10)16-11-6-7-11/h3-5,8-9,11,14H,6-7H2,1-2H3
InChIKeyDGBHKCQDGQZMDF-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.02
Rot. Bonds5

About 1-(3-cyclopropyloxyphenyl)-2-(methylamino)propan-1-one

1-(3-cyclopropyloxyphenyl)-2-(methylamino)propan-1-one (PubChem CID 114523725) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-2-(methylamino)propan-1-one
PubChem CID114523725
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(3-cyclopropyloxyphenyl)-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)c1cccc(OC2CC2)c1
InChIInChI=1S/C13H17NO2/c1-9(14-2)13(15)10-4-3-5-12(8-10)16-11-6-7-11/h3-5,8-9,11,14H,6-7H2,1-2H3
InChIKeyDGBHKCQDGQZMDF-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopropyloxyphenyl)-2-methylbutan-1-one
CID 114521136
1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103311606
2-(aminomethyl)-1-(3-cyclopropyloxyphenyl)-4-methylpentan-1-one
CID 114523852
2-amino-1-(3-cyclopropyloxyphenyl)-3-methoxypropan-1-one
CID 114523838
4-amino-1-(3-cyclopropyloxyphenyl)-3-methylbutan-1-one
CID 114523847
(3-cyclopropyloxyphenyl)-(4-propan-2-ylphenyl)methanone
CID 114521063
1-(3-cyclopropyloxyphenyl)-2-ethoxypentan-1-one
CID 114521268
1-(3-cyclohexyloxyphenyl)ethanone
CID 43208744
cyclooctyl-(3-cyclopropyloxyphenyl)methanone
CID 114521228
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
N-(3-amino-2-methylpropyl)-3-cyclopentyloxybenzamide
CID 119995738
N-(3-aminobutyl)-3-cyclopentyloxybenzamide;hydrochloride
CID 119497787

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-2-(methylamino)propan-1-one?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-2-(methylamino)propan-1-one (CID 114523725) is 1-(3-cyclopropyloxyphenyl)-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-2-(methylamino)propan-1-one is CNC(C)C(=O)c1cccc(OC2CC2)c1.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-2-(methylamino)propan-1-one?
The InChIKey is DGBHKCQDGQZMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(14-2)13(15)10-4-3-5-12(8-10)16-11-6-7-11/h3-5,8-9,11,14H,6-7H2,1-2H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-2-(methylamino)propan-1-one?
1-(3-cyclopropyloxyphenyl)-2-(methylamino)propan-1-one has a molecular weight of 219.28 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-2-(methylamino)propan-1-one is sourced from PubChem (CID 114523725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).