2-amino-1-(4-methoxy-3,5-dimethylphenyl)-2-methylpropan-1-one

C13H19NO2 — CID 96607143

IUPAC2-amino-1-(4-methoxy-3,5-dimethylphenyl)-2-methylpropan-1-one
SMILESCOc1c(C)cc(C(=O)C(C)(C)N)cc1C
InChIInChI=1S/C13H19NO2/c1-8-6-10(12(15)13(3,4)14)7-9(2)11(8)16-5/h6-7H,14H2,1-5H3
InChIKeyBUVJZVYPDJEZSP-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.23
Rot. Bonds3

About 2-amino-1-(4-methoxy-3,5-dimethylphenyl)-2-methylpropan-1-one

2-amino-1-(4-methoxy-3,5-dimethylphenyl)-2-methylpropan-1-one (PubChem CID 96607143) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-1-(4-methoxy-3,5-dimethylphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-methoxy-3,5-dimethylphenyl)-2-methylpropan-1-one
PubChem CID96607143
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-amino-1-(4-methoxy-3,5-dimethylphenyl)-2-methylpropan-1-one
SMILESCOc1c(C)cc(C(=O)C(C)(C)N)cc1C
InChIInChI=1S/C13H19NO2/c1-8-6-10(12(15)13(3,4)14)7-9(2)11(8)16-5/h6-7H,14H2,1-5H3
InChIKeyBUVJZVYPDJEZSP-UHFFFAOYSA-N
XLogP2.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-methoxy-3,5-dimethylphenyl)-2-methyl-1-oxopropan-2-yl] acetate
CID 146006439
2-(4-methoxy-3,5-dimethylphenyl)-2-oxoacetamide
CID 116924503
4-methoxy-3,5-dimethylbenzenecarbothioic S-acid
CID 116918890
2-amino-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 82401990
4,4,4-trifluoro-1-(4-methoxy-3,5-dimethylphenyl)butan-1-one
CID 83057195
(4-methoxy-3,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 83043829
1-[4-methoxy-3-methyl-5-(trifluoromethyl)phenyl]ethanone
CID 170996803
3-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2,2-dimethylpropanoic acid
CID 120687898
(3-amino-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83068741
2-amino-1-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-one
CID 116915377
2-amino-1-(3-chloro-4-methoxy-5-methylphenyl)ethanone
CID 83835408
N-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide
CID 22905642

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methoxy-3,5-dimethylphenyl)-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-(4-methoxy-3,5-dimethylphenyl)-2-methylpropan-1-one (CID 96607143) is 2-amino-1-(4-methoxy-3,5-dimethylphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-(4-methoxy-3,5-dimethylphenyl)-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-(4-methoxy-3,5-dimethylphenyl)-2-methylpropan-1-one is COc1c(C)cc(C(=O)C(C)(C)N)cc1C.
What is the InChIKey of 2-amino-1-(4-methoxy-3,5-dimethylphenyl)-2-methylpropan-1-one?
The InChIKey is BUVJZVYPDJEZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8-6-10(12(15)13(3,4)14)7-9(2)11(8)16-5/h6-7H,14H2,1-5H3.
What are the key properties of 2-amino-1-(4-methoxy-3,5-dimethylphenyl)-2-methylpropan-1-one?
2-amino-1-(4-methoxy-3,5-dimethylphenyl)-2-methylpropan-1-one has a molecular weight of 221.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methoxy-3,5-dimethylphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 96607143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).