3-amino-1-(2-methoxyphenyl)-3-methylbutan-1-one

C12H17NO2 — CID 116581224

IUPAC3-amino-1-(2-methoxyphenyl)-3-methylbutan-1-one
SMILESCOc1ccccc1C(=O)CC(C)(C)N
InChIInChI=1S/C12H17NO2/c1-12(2,13)8-10(14)9-6-4-5-7-11(9)15-3/h4-7H,8,13H2,1-3H3
InChIKeyBTCNSQCDVNVUMO-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.01
Rot. Bonds4

About 3-amino-1-(2-methoxyphenyl)-3-methylbutan-1-one

3-amino-1-(2-methoxyphenyl)-3-methylbutan-1-one (PubChem CID 116581224) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-amino-1-(2-methoxyphenyl)-3-methylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-methoxyphenyl)-3-methylbutan-1-one
PubChem CID116581224
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-amino-1-(2-methoxyphenyl)-3-methylbutan-1-one
SMILESCOc1ccccc1C(=O)CC(C)(C)N
InChIInChI=1S/C12H17NO2/c1-12(2,13)8-10(14)9-6-4-5-7-11(9)15-3/h4-7H,8,13H2,1-3H3
InChIKeyBTCNSQCDVNVUMO-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

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Related Compounds

1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
3-amino-1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one
CID 116915741
2-fluoro-1-(2-methoxyphenyl)ethanone
CID 11816076
[2-(2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7811189
1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)ethanone
CID 82102169
3-amino-N-(2-methoxyphenyl)-N,3-dimethylbutanamide
CID 64678245
2-methoxybenzohydrazide
CID 24051
[3-(2-methoxybenzoyl)oxy-2,2-bis[(2-methoxybenzoyl)oxymethyl]propyl] 2-methoxybenzoate
CID 54498561
2-[2-(2-methoxyphenyl)-2-oxoethoxy]benzamide
CID 43218560
2-(2-fluoroanilino)-1-(2-methoxyphenyl)ethanone
CID 94272670
N-[2-(2-methoxyphenyl)-2-oxoethyl]acetamide
CID 12945637
3-amino-1-(2-methoxyphenyl)-3-phenylpropan-1-one
CID 116553157

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methoxyphenyl)-3-methylbutan-1-one?
The IUPAC name of 3-amino-1-(2-methoxyphenyl)-3-methylbutan-1-one (CID 116581224) is 3-amino-1-(2-methoxyphenyl)-3-methylbutan-1-one.
What is the SMILES notation for 3-amino-1-(2-methoxyphenyl)-3-methylbutan-1-one?
The canonical SMILES for 3-amino-1-(2-methoxyphenyl)-3-methylbutan-1-one is COc1ccccc1C(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-1-(2-methoxyphenyl)-3-methylbutan-1-one?
The InChIKey is BTCNSQCDVNVUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2,13)8-10(14)9-6-4-5-7-11(9)15-3/h4-7H,8,13H2,1-3H3.
What are the key properties of 3-amino-1-(2-methoxyphenyl)-3-methylbutan-1-one?
3-amino-1-(2-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-(2-methoxyphenyl)-3-methylbutan-1-one is sourced from PubChem (CID 116581224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).