3-amino-1-(3-methoxyphenyl)-3-methylbutan-1-one

C12H17NO2 — CID 116581079

IUPAC3-amino-1-(3-methoxyphenyl)-3-methylbutan-1-one
SMILESCOc1cccc(C(=O)CC(C)(C)N)c1
InChIInChI=1S/C12H17NO2/c1-12(2,13)8-11(14)9-5-4-6-10(7-9)15-3/h4-7H,8,13H2,1-3H3
InChIKeyQYVJROWQBCVQPY-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.01
Rot. Bonds4

About 3-amino-1-(3-methoxyphenyl)-3-methylbutan-1-one

3-amino-1-(3-methoxyphenyl)-3-methylbutan-1-one (PubChem CID 116581079) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-amino-1-(3-methoxyphenyl)-3-methylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-methoxyphenyl)-3-methylbutan-1-one
PubChem CID116581079
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-amino-1-(3-methoxyphenyl)-3-methylbutan-1-one
SMILESCOc1cccc(C(=O)CC(C)(C)N)c1
InChIInChI=1S/C12H17NO2/c1-12(2,13)8-11(14)9-5-4-6-10(7-9)15-3/h4-7H,8,13H2,1-3H3
InChIKeyQYVJROWQBCVQPY-UHFFFAOYSA-N
XLogP2.01
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(3-methoxyphenyl)-3-methylbutan-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

2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
6-amino-1-(3-methoxyphenyl)-4,4-dimethylhexan-1-one
CID 116574825
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
3-amino-N-(3-methoxyphenyl)-3-methylbutanamide
CID 64683747
3-amino-1-(3-methoxyphenyl)-4-methylpentan-1-one
CID 116606296
2-(3,3-dimethylbutoxy)-1-(3-methoxyphenyl)ethanone
CID 66233860
2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone
CID 64643903
1-(3-methoxyphenyl)-2-pyridin-1-ium-1-ylethanone chloride
CID 19432277
2-[2-(aminomethyl)phenyl]-1-(3-methoxyphenyl)ethanone
CID 116595979
3-amino-1-(2-fluoro-4-methoxyphenyl)-3-methylbutan-1-one
CID 103397131
2-(tert-butylamino)-1-(3-methoxyphenyl)ethanone;methanesulfonic acid
CID 3062444
(1-aminocyclopropyl)-(3-methoxyphenyl)methanone
CID 116576589

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-methoxyphenyl)-3-methylbutan-1-one?
The IUPAC name of 3-amino-1-(3-methoxyphenyl)-3-methylbutan-1-one (CID 116581079) is 3-amino-1-(3-methoxyphenyl)-3-methylbutan-1-one.
What is the SMILES notation for 3-amino-1-(3-methoxyphenyl)-3-methylbutan-1-one?
The canonical SMILES for 3-amino-1-(3-methoxyphenyl)-3-methylbutan-1-one is COc1cccc(C(=O)CC(C)(C)N)c1.
What is the InChIKey of 3-amino-1-(3-methoxyphenyl)-3-methylbutan-1-one?
The InChIKey is QYVJROWQBCVQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2,13)8-11(14)9-5-4-6-10(7-9)15-3/h4-7H,8,13H2,1-3H3.
What are the key properties of 3-amino-1-(3-methoxyphenyl)-3-methylbutan-1-one?
3-amino-1-(3-methoxyphenyl)-3-methylbutan-1-one has a molecular weight of 207.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-methoxyphenyl)-3-methylbutan-1-one is sourced from PubChem (CID 116581079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).