3-amino-1-(2-cyclopropyloxy-3-methoxyphenyl)propan-1-one

C13H17NO3 — CID 117342156

IUPAC3-amino-1-(2-cyclopropyloxy-3-methoxyphenyl)propan-1-one
SMILESCOc1cccc(C(=O)CCN)c1OC1CC1
InChIInChI=1S/C13H17NO3/c1-16-12-4-2-3-10(11(15)7-8-14)13(12)17-9-5-6-9/h2-4,9H,5-8,14H2,1H3
InChIKeyMSQWCBJOSKRFOV-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.77
Rot. Bonds6

About 3-amino-1-(2-cyclopropyloxy-3-methoxyphenyl)propan-1-one

3-amino-1-(2-cyclopropyloxy-3-methoxyphenyl)propan-1-one (PubChem CID 117342156) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-amino-1-(2-cyclopropyloxy-3-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-cyclopropyloxy-3-methoxyphenyl)propan-1-one
PubChem CID117342156
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-amino-1-(2-cyclopropyloxy-3-methoxyphenyl)propan-1-one
SMILESCOc1cccc(C(=O)CCN)c1OC1CC1
InChIInChI=1S/C13H17NO3/c1-16-12-4-2-3-10(11(15)7-8-14)13(12)17-9-5-6-9/h2-4,9H,5-8,14H2,1H3
InChIKeyMSQWCBJOSKRFOV-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(2-cyclobutyloxyphenyl)propan-1-one
CID 117312431
methyl 2-cyclopentyloxy-3-methoxybenzoate
CID 117054108
1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]-2-(methylamino)ethanone
CID 115005075
2-cyclohexyloxy-3-methoxybenzenecarboximidamide
CID 82253454
1-[3-methoxy-2-(thian-3-yloxy)phenyl]-2-(methylamino)ethanone
CID 117476144
3-amino-1-(2,3-dimethoxy-4-methylphenyl)propan-1-one
CID 117319773
3-amino-1-(4-fluoro-2,3-dimethoxyphenyl)propan-1-one
CID 117326576
(2-cyclopentyloxy-3-methoxyphenyl)methanamine
CID 43471488
1-(2,3-dimethoxyphenyl)-4-methoxybutan-1-one
CID 105135502
3-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]propan-1-one
CID 117359478
1-(2,3-dimethoxyphenyl)-3-methylsulfonylpropan-1-one
CID 114983891
[1-(2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117407993

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-cyclopropyloxy-3-methoxyphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(2-cyclopropyloxy-3-methoxyphenyl)propan-1-one (CID 117342156) is 3-amino-1-(2-cyclopropyloxy-3-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(2-cyclopropyloxy-3-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(2-cyclopropyloxy-3-methoxyphenyl)propan-1-one is COc1cccc(C(=O)CCN)c1OC1CC1.
What is the InChIKey of 3-amino-1-(2-cyclopropyloxy-3-methoxyphenyl)propan-1-one?
The InChIKey is MSQWCBJOSKRFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-12-4-2-3-10(11(15)7-8-14)13(12)17-9-5-6-9/h2-4,9H,5-8,14H2,1H3.
What are the key properties of 3-amino-1-(2-cyclopropyloxy-3-methoxyphenyl)propan-1-one?
3-amino-1-(2-cyclopropyloxy-3-methoxyphenyl)propan-1-one has a molecular weight of 235.28 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-cyclopropyloxy-3-methoxyphenyl)propan-1-one is sourced from PubChem (CID 117342156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).