3-(methoxymethylamino)-2-methyl-1-phenylpropan-1-one

C12H17NO2 — CID 119081869

IUPAC3-(methoxymethylamino)-2-methyl-1-phenylpropan-1-one
SMILESCOCNCC(C)C(=O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-10(8-13-9-15-2)12(14)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3
InChIKeyJADSKIZQSMZWQP-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.70
Rot. Bonds6

About 3-(methoxymethylamino)-2-methyl-1-phenylpropan-1-one

3-(methoxymethylamino)-2-methyl-1-phenylpropan-1-one (PubChem CID 119081869) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(methoxymethylamino)-2-methyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(methoxymethylamino)-2-methyl-1-phenylpropan-1-one
PubChem CID119081869
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-(methoxymethylamino)-2-methyl-1-phenylpropan-1-one
SMILESCOCNCC(C)C(=O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-10(8-13-9-15-2)12(14)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3
InChIKeyJADSKIZQSMZWQP-UHFFFAOYSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-(methoxymethylamino)-2-methyl-1-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-methyl-4-oxo-4-phenylbutanoate
CID 10774657
3-anilino-2-methyl-1-phenylpropan-1-one
CID 13467340
[2-methyl-3-(2-sulfosulfanylethylamino)propanoyl]benzene
CID 569704
benzyl N-(2-methyl-3-oxo-3-phenylpropyl)carbamate
CID 10236470
3-methyl-4-oxo-4-phenylbutanoic acid
CID 12559087
(3S)-3-methyl-4-oxo-4-phenylbutanoic acid
CID 51900528
4-methoxy-2,3-dimethyl-1-phenylbutan-1-one
CID 104845056
methyl 2-methyl-3-(2-phenylpropylamino)propanoate
CID 104591422
2,3-dimethoxy-1-phenylpropan-1-one
CID 90073170
N-[(2R)-1-oxo-1-phenylpropan-2-yl]formamide
CID 130699282
methyl benzoate;2-methylpropan-1-ol
CID 69407319
methyl 3-benzoyl-4-oxo-4-phenylbutanoate
CID 10979354

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethylamino)-2-methyl-1-phenylpropan-1-one?
The IUPAC name of 3-(methoxymethylamino)-2-methyl-1-phenylpropan-1-one (CID 119081869) is 3-(methoxymethylamino)-2-methyl-1-phenylpropan-1-one.
What is the SMILES notation for 3-(methoxymethylamino)-2-methyl-1-phenylpropan-1-one?
The canonical SMILES for 3-(methoxymethylamino)-2-methyl-1-phenylpropan-1-one is COCNCC(C)C(=O)c1ccccc1.
What is the InChIKey of 3-(methoxymethylamino)-2-methyl-1-phenylpropan-1-one?
The InChIKey is JADSKIZQSMZWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10(8-13-9-15-2)12(14)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3.
What are the key properties of 3-(methoxymethylamino)-2-methyl-1-phenylpropan-1-one?
3-(methoxymethylamino)-2-methyl-1-phenylpropan-1-one has a molecular weight of 207.27 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethylamino)-2-methyl-1-phenylpropan-1-one is sourced from PubChem (CID 119081869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).