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

C12H17NO2 — CID 166510839

IUPAC1-amino-1-(2-methoxyphenyl)-3-methylbutan-2-one
SMILESCOc1ccccc1C(N)C(=O)C(C)C
InChIInChI=1S/C12H17NO2/c1-8(2)12(14)11(13)9-6-4-5-7-10(9)15-3/h4-8,11H,13H2,1-3H3
InChIKeyDZDRTMZKBMQUMQ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.92
Rot. Bonds4

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

1-amino-1-(2-methoxyphenyl)-3-methylbutan-2-one (PubChem CID 166510839) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-amino-1-(2-methoxyphenyl)-3-methylbutan-2-one.

Molecular Properties

Compound Name1-amino-1-(2-methoxyphenyl)-3-methylbutan-2-one
PubChem CID166510839
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-amino-1-(2-methoxyphenyl)-3-methylbutan-2-one
SMILESCOc1ccccc1C(N)C(=O)C(C)C
InChIInChI=1S/C12H17NO2/c1-8(2)12(14)11(13)9-6-4-5-7-10(9)15-3/h4-8,11H,13H2,1-3H3
InChIKeyDZDRTMZKBMQUMQ-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-(2-methoxyphenyl)propanoate
CID 12867082
(2-methoxyphenyl) 2-methylpropanoate
CID 836904
(1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol
CID 15671931
methyl (2S,3R)-2-amino-3-hydroxy-3-(2-methoxyphenyl)propanoate
CID 11780290
methyl 3-(2-methoxyphenyl)-2-methylbutanoate
CID 121339404
2-amino-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 60718632
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 81387938
1-amino-1-(2-methoxyphenyl)propan-2-ol;hydrochloride
CID 162343351
ethyl (2S)-2-(2-methoxyphenyl)propanoate
CID 129388209
3-(2-methoxyphenyl)-2-oxobutanoic acid
CID 70150557
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 81387944
methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81396743

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(2-methoxyphenyl)-3-methylbutan-2-one?
The IUPAC name of 1-amino-1-(2-methoxyphenyl)-3-methylbutan-2-one (CID 166510839) is 1-amino-1-(2-methoxyphenyl)-3-methylbutan-2-one.
What is the SMILES notation for 1-amino-1-(2-methoxyphenyl)-3-methylbutan-2-one?
The canonical SMILES for 1-amino-1-(2-methoxyphenyl)-3-methylbutan-2-one is COc1ccccc1C(N)C(=O)C(C)C.
What is the InChIKey of 1-amino-1-(2-methoxyphenyl)-3-methylbutan-2-one?
The InChIKey is DZDRTMZKBMQUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8(2)12(14)11(13)9-6-4-5-7-10(9)15-3/h4-8,11H,13H2,1-3H3.
What are the key properties of 1-amino-1-(2-methoxyphenyl)-3-methylbutan-2-one?
1-amino-1-(2-methoxyphenyl)-3-methylbutan-2-one has a molecular weight of 207.27 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(2-methoxyphenyl)-3-methylbutan-2-one is sourced from PubChem (CID 166510839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).