(5-amino-2-methoxy-3,4-dimethylphenyl) acetate

C11H15NO3 — CID 10375800

IUPAC(5-amino-2-methoxy-3,4-dimethylphenyl) acetate
SMILESCOc1c(OC(C)=O)cc(N)c(C)c1C
InChIInChI=1S/C11H15NO3/c1-6-7(2)11(14-4)10(5-9(6)12)15-8(3)13/h5H,12H2,1-4H3
InChIKeyAVJROQDNPFYHTA-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.82
Rot. Bonds2

About (5-amino-2-methoxy-3,4-dimethylphenyl) acetate

(5-amino-2-methoxy-3,4-dimethylphenyl) acetate (PubChem CID 10375800) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is (5-amino-2-methoxy-3,4-dimethylphenyl) acetate.

Molecular Properties

Compound Name(5-amino-2-methoxy-3,4-dimethylphenyl) acetate
PubChem CID10375800
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name(5-amino-2-methoxy-3,4-dimethylphenyl) acetate
SMILESCOc1c(OC(C)=O)cc(N)c(C)c1C
InChIInChI=1S/C11H15NO3/c1-6-7(2)11(14-4)10(5-9(6)12)15-8(3)13/h5H,12H2,1-4H3
InChIKeyAVJROQDNPFYHTA-UHFFFAOYSA-N
XLogP1.82
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

4,5-Dimethoxy-2-methylaniline
CID 266585
7-Methyl-2,3-dihydro-benzo[1,4]dioxin-6-ylamine
CID 5136721
4,5-Dimethoxy-2-(trifluoromethyl)aniline
CID 290796
4,5-Dimethoxy-2-(prop-1-enyl)aniline
CID 14090705
Methyl 2-(5-amino-2-methoxy-4-propylphenoxy)acetate
CID 46871862
Benzenamine, 4,5-dimethoxy-2-(2-propenyl)-
CID 606353
1,2-Dimethoxy-3,4-dimethyl-5-nitrobenzene
CID 134935295
2-Amino-4,5-diethoxybenzonitrile
CID 1381991
Cambridge id 5788145
CID 2868469
7-Propyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 2868470
Benzenamine, 2-(cyclopropylmethyl)-4,5-dimethoxy-
CID 86240177
3-(4,5-Diacetyloxy-2-nitrophenyl)propyl acetate
CID 123951227

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methoxy-3,4-dimethylphenyl) acetate?
The IUPAC name of (5-amino-2-methoxy-3,4-dimethylphenyl) acetate (CID 10375800) is (5-amino-2-methoxy-3,4-dimethylphenyl) acetate.
What is the SMILES notation for (5-amino-2-methoxy-3,4-dimethylphenyl) acetate?
The canonical SMILES for (5-amino-2-methoxy-3,4-dimethylphenyl) acetate is COc1c(OC(C)=O)cc(N)c(C)c1C.
What is the InChIKey of (5-amino-2-methoxy-3,4-dimethylphenyl) acetate?
The InChIKey is AVJROQDNPFYHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-6-7(2)11(14-4)10(5-9(6)12)15-8(3)13/h5H,12H2,1-4H3.
What are the key properties of (5-amino-2-methoxy-3,4-dimethylphenyl) acetate?
(5-amino-2-methoxy-3,4-dimethylphenyl) acetate has a molecular weight of 209.24 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methoxy-3,4-dimethylphenyl) acetate is sourced from PubChem (CID 10375800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).