1-amino-1-(3-methoxy-4-methylphenyl)propan-2-one

C11H15NO2 — CID 55296322

IUPAC1-amino-1-(3-methoxy-4-methylphenyl)propan-2-one
SMILESCOc1cc(C(N)C(C)=O)ccc1C
InChIInChI=1S/C11H15NO2/c1-7-4-5-9(6-10(7)14-3)11(12)8(2)13/h4-6,11H,12H2,1-3H3
InChIKeyJKVCFCXCILEUGP-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.59
Rot. Bonds3

About 1-amino-1-(3-methoxy-4-methylphenyl)propan-2-one

1-amino-1-(3-methoxy-4-methylphenyl)propan-2-one (PubChem CID 55296322) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-amino-1-(3-methoxy-4-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-amino-1-(3-methoxy-4-methylphenyl)propan-2-one
PubChem CID55296322
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-amino-1-(3-methoxy-4-methylphenyl)propan-2-one
SMILESCOc1cc(C(N)C(C)=O)ccc1C
InChIInChI=1S/C11H15NO2/c1-7-4-5-9(6-10(7)14-3)11(12)8(2)13/h4-6,11H,12H2,1-3H3
InChIKeyJKVCFCXCILEUGP-UHFFFAOYSA-N
XLogP1.59
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(3-methoxy-4-methylphenyl)butan-2-one
CID 143900211
1-chloro-1-(3-methoxy-4-methylphenyl)propan-2-one
CID 130894180
(1S)-1-(3-methoxy-4-methylphenyl)-3-methylbut-3-en-1-amine
CID 171225050
(2R)-2-(3-methoxy-4-methylphenyl)propanoic acid
CID 118199604
(1S)-1-(3-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-amine
CID 131536439
(1S,2S)-1-(3-methoxy-4-methylphenyl)propane-1,2-diamine
CID 130934760
methyl (2R)-2-amino-2-(4-methoxy-3-methylphenyl)acetate;hydrochloride
CID 171233347
1-amino-1-(4-hydroxy-3-methylphenyl)propan-2-one
CID 55295295
1-amino-1-(4-ethoxy-3-methylphenyl)propan-2-one
CID 116859676
(4S)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol
CID 171225063
1-amino-1-(4-chloro-3-methylphenyl)propan-2-one
CID 55273275
(4-methoxy-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 83044207

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(3-methoxy-4-methylphenyl)propan-2-one?
The IUPAC name of 1-amino-1-(3-methoxy-4-methylphenyl)propan-2-one (CID 55296322) is 1-amino-1-(3-methoxy-4-methylphenyl)propan-2-one.
What is the SMILES notation for 1-amino-1-(3-methoxy-4-methylphenyl)propan-2-one?
The canonical SMILES for 1-amino-1-(3-methoxy-4-methylphenyl)propan-2-one is COc1cc(C(N)C(C)=O)ccc1C.
What is the InChIKey of 1-amino-1-(3-methoxy-4-methylphenyl)propan-2-one?
The InChIKey is JKVCFCXCILEUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-4-5-9(6-10(7)14-3)11(12)8(2)13/h4-6,11H,12H2,1-3H3.
What are the key properties of 1-amino-1-(3-methoxy-4-methylphenyl)propan-2-one?
1-amino-1-(3-methoxy-4-methylphenyl)propan-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(3-methoxy-4-methylphenyl)propan-2-one is sourced from PubChem (CID 55296322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).