2-amino-1-(3-cyclopropyloxyphenyl)-3-methoxypropan-1-one

C13H17NO3 — CID 114523838

IUPAC2-amino-1-(3-cyclopropyloxyphenyl)-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)c1cccc(OC2CC2)c1
InChIInChI=1S/C13H17NO3/c1-16-8-12(14)13(15)9-3-2-4-11(7-9)17-10-5-6-10/h2-4,7,10,12H,5-6,8,14H2,1H3
InChIKeyAFEPTMGHGFTOKA-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.38
Rot. Bonds6

About 2-amino-1-(3-cyclopropyloxyphenyl)-3-methoxypropan-1-one

2-amino-1-(3-cyclopropyloxyphenyl)-3-methoxypropan-1-one (PubChem CID 114523838) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-amino-1-(3-cyclopropyloxyphenyl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-cyclopropyloxyphenyl)-3-methoxypropan-1-one
PubChem CID114523838
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-amino-1-(3-cyclopropyloxyphenyl)-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)c1cccc(OC2CC2)c1
InChIInChI=1S/C13H17NO3/c1-16-8-12(14)13(15)9-3-2-4-11(7-9)17-10-5-6-10/h2-4,7,10,12H,5-6,8,14H2,1H3
InChIKeyAFEPTMGHGFTOKA-UHFFFAOYSA-N
XLogP1.38
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyclopropyloxyphenyl)-2-methylbutan-1-one
CID 114521136
2-amino-3-methoxy-1-naphthalen-2-ylpropan-1-one
CID 116594058
2-(aminomethyl)-1-(3-cyclopropyloxyphenyl)-4-methylpentan-1-one
CID 114523852
1-(3-cyclopropyloxyphenyl)-2-(methylamino)propan-1-one
CID 114523725
4-amino-1-(3-cyclopropyloxyphenyl)-3-methylbutan-1-one
CID 114523847
(2S)-2-amino-3-methoxy-1-phenylpropan-1-one
CID 68527964
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
1-(3-cyclopropyloxyphenyl)-2-ethoxypentan-1-one
CID 114521268
1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103311606
N-(3-aminobutyl)-3-cyclopentyloxybenzamide;hydrochloride
CID 119497787
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone
CID 114521119
2-amino-1-(3-cyclobutylphenyl)-4-methoxybutan-1-one
CID 114607534

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-cyclopropyloxyphenyl)-3-methoxypropan-1-one?
The IUPAC name of 2-amino-1-(3-cyclopropyloxyphenyl)-3-methoxypropan-1-one (CID 114523838) is 2-amino-1-(3-cyclopropyloxyphenyl)-3-methoxypropan-1-one.
What is the SMILES notation for 2-amino-1-(3-cyclopropyloxyphenyl)-3-methoxypropan-1-one?
The canonical SMILES for 2-amino-1-(3-cyclopropyloxyphenyl)-3-methoxypropan-1-one is COCC(N)C(=O)c1cccc(OC2CC2)c1.
What is the InChIKey of 2-amino-1-(3-cyclopropyloxyphenyl)-3-methoxypropan-1-one?
The InChIKey is AFEPTMGHGFTOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-8-12(14)13(15)9-3-2-4-11(7-9)17-10-5-6-10/h2-4,7,10,12H,5-6,8,14H2,1H3.
What are the key properties of 2-amino-1-(3-cyclopropyloxyphenyl)-3-methoxypropan-1-one?
2-amino-1-(3-cyclopropyloxyphenyl)-3-methoxypropan-1-one has a molecular weight of 235.28 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-cyclopropyloxyphenyl)-3-methoxypropan-1-one is sourced from PubChem (CID 114523838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).