2-amino-1-(2,5-dimethoxyphenyl)-2-methylbutan-1-one

C13H19NO3 — CID 116590395

IUPAC2-amino-1-(2,5-dimethoxyphenyl)-2-methylbutan-1-one
SMILESCCC(C)(N)C(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C13H19NO3/c1-5-13(2,14)12(15)10-8-9(16-3)6-7-11(10)17-4/h6-8H,5,14H2,1-4H3
InChIKeyZQEZYBGEWCTOKX-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.01
Rot. Bonds5

About 2-amino-1-(2,5-dimethoxyphenyl)-2-methylbutan-1-one

2-amino-1-(2,5-dimethoxyphenyl)-2-methylbutan-1-one (PubChem CID 116590395) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-amino-1-(2,5-dimethoxyphenyl)-2-methylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,5-dimethoxyphenyl)-2-methylbutan-1-one
PubChem CID116590395
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-amino-1-(2,5-dimethoxyphenyl)-2-methylbutan-1-one
SMILESCCC(C)(N)C(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C13H19NO3/c1-5-13(2,14)12(15)10-8-9(16-3)6-7-11(10)17-4/h6-8H,5,14H2,1-4H3
InChIKeyZQEZYBGEWCTOKX-UHFFFAOYSA-N
XLogP2.01
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)-1-(2,5-dimethoxyphenyl)-2-methylpropan-1-one
CID 79053848
2-bromo-1-(2,5-dimethoxyphenyl)-2,2-difluoroethanone
CID 146006289
2-amino-1-(3-bromo-2,4-dimethoxyphenyl)-2-methylbutan-1-one
CID 103524317
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
1-(2,4-dimethoxyphenyl)-2-ethyl-2-hydroxybutan-1-one
CID 103446903
2-hydroxyethyl 2,5-dimethoxybenzoate
CID 116862870
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate
CID 119090108
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2,5-dimethoxybenzamide
CID 107867479
2-chloro-1-(2,5-dimethoxyphenyl)butan-1-one
CID 82254816
2,5-dimethoxy-N-(2-methoxyethoxy)benzamide
CID 79676570
(4-tert-butyl-2,6-dimethylphenyl)methyl 2,5-dimethoxybenzoate
CID 7487725

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,5-dimethoxyphenyl)-2-methylbutan-1-one?
The IUPAC name of 2-amino-1-(2,5-dimethoxyphenyl)-2-methylbutan-1-one (CID 116590395) is 2-amino-1-(2,5-dimethoxyphenyl)-2-methylbutan-1-one.
What is the SMILES notation for 2-amino-1-(2,5-dimethoxyphenyl)-2-methylbutan-1-one?
The canonical SMILES for 2-amino-1-(2,5-dimethoxyphenyl)-2-methylbutan-1-one is CCC(C)(N)C(=O)c1cc(OC)ccc1OC.
What is the InChIKey of 2-amino-1-(2,5-dimethoxyphenyl)-2-methylbutan-1-one?
The InChIKey is ZQEZYBGEWCTOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-5-13(2,14)12(15)10-8-9(16-3)6-7-11(10)17-4/h6-8H,5,14H2,1-4H3.
What are the key properties of 2-amino-1-(2,5-dimethoxyphenyl)-2-methylbutan-1-one?
2-amino-1-(2,5-dimethoxyphenyl)-2-methylbutan-1-one has a molecular weight of 237.30 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,5-dimethoxyphenyl)-2-methylbutan-1-one is sourced from PubChem (CID 116590395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).