1-(3-amino-4-prop-2-enoxyphenyl)propan-1-one

C12H15NO2 — CID 82064223

IUPAC1-(3-amino-4-prop-2-enoxyphenyl)propan-1-one
SMILESC=CCOc1ccc(C(=O)CC)cc1N
InChIInChI=1S/C12H15NO2/c1-3-7-15-12-6-5-9(8-10(12)13)11(14)4-2/h3,5-6,8H,1,4,7,13H2,2H3
InChIKeyRHYQEDLAMDAIFY-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.43
Rot. Bonds5

About 1-(3-amino-4-prop-2-enoxyphenyl)propan-1-one

1-(3-amino-4-prop-2-enoxyphenyl)propan-1-one (PubChem CID 82064223) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(3-amino-4-prop-2-enoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-amino-4-prop-2-enoxyphenyl)propan-1-one
PubChem CID82064223
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-(3-amino-4-prop-2-enoxyphenyl)propan-1-one
SMILESC=CCOc1ccc(C(=O)CC)cc1N
InChIInChI=1S/C12H15NO2/c1-3-7-15-12-6-5-9(8-10(12)13)11(14)4-2/h3,5-6,8H,1,4,7,13H2,2H3
InChIKeyRHYQEDLAMDAIFY-UHFFFAOYSA-N
XLogP2.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-amino-4-prop-2-enoxybenzoate
CID 82057340
1-(3-amino-4-propoxyphenyl)-3-[bis(prop-2-enyl)amino]propan-1-one
CID 82064948
2-(2-amino-4-propanoylphenoxy)-N-butan-2-ylacetamide
CID 82064209
2-(2-amino-4-propanoylphenoxy)-N-(2-methylpropyl)acetamide
CID 82064208
1-(4-amino-3-ethenylphenyl)propan-1-one
CID 175309037
1-(3-amino-4-ethoxyphenyl)-2-(methylamino)ethanone
CID 82258591
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate
CID 18123440
5-propan-2-yl-2-prop-2-enoxyaniline
CID 54852954
2-amino-4-propanoylbenzoic acid
CID 119001727
methyl 2-amino-4-propanoylbenzoate
CID 134648502
1-(3-amino-4-butoxyphenyl)-3-methylbutan-1-one
CID 82152529
(3-amino-4-ethoxyphenyl)-cyclopropylmethanone
CID 82152472

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-prop-2-enoxyphenyl)propan-1-one?
The IUPAC name of 1-(3-amino-4-prop-2-enoxyphenyl)propan-1-one (CID 82064223) is 1-(3-amino-4-prop-2-enoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(3-amino-4-prop-2-enoxyphenyl)propan-1-one?
The canonical SMILES for 1-(3-amino-4-prop-2-enoxyphenyl)propan-1-one is C=CCOc1ccc(C(=O)CC)cc1N.
What is the InChIKey of 1-(3-amino-4-prop-2-enoxyphenyl)propan-1-one?
The InChIKey is RHYQEDLAMDAIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-7-15-12-6-5-9(8-10(12)13)11(14)4-2/h3,5-6,8H,1,4,7,13H2,2H3.
What are the key properties of 1-(3-amino-4-prop-2-enoxyphenyl)propan-1-one?
1-(3-amino-4-prop-2-enoxyphenyl)propan-1-one has a molecular weight of 205.26 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-prop-2-enoxyphenyl)propan-1-one is sourced from PubChem (CID 82064223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).