2-(2-methylpropoxy)ethyl 5-amino-2,3-dimethylbenzoate

C15H23NO3 — CID 106448067

IUPAC2-(2-methylpropoxy)ethyl 5-amino-2,3-dimethylbenzoate
SMILESCc1cc(N)cc(C(=O)OCCOCC(C)C)c1C
InChIInChI=1S/C15H23NO3/c1-10(2)9-18-5-6-19-15(17)14-8-13(16)7-11(3)12(14)4/h7-8,10H,5-6,9,16H2,1-4H3
InChIKeyQHRHSSIYLKQKLR-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.72
Rot. Bonds6

About 2-(2-methylpropoxy)ethyl 5-amino-2,3-dimethylbenzoate

2-(2-methylpropoxy)ethyl 5-amino-2,3-dimethylbenzoate (PubChem CID 106448067) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(2-methylpropoxy)ethyl 5-amino-2,3-dimethylbenzoate.

Molecular Properties

Compound Name2-(2-methylpropoxy)ethyl 5-amino-2,3-dimethylbenzoate
PubChem CID106448067
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(2-methylpropoxy)ethyl 5-amino-2,3-dimethylbenzoate
SMILESCc1cc(N)cc(C(=O)OCCOCC(C)C)c1C
InChIInChI=1S/C15H23NO3/c1-10(2)9-18-5-6-19-15(17)14-8-13(16)7-11(3)12(14)4/h7-8,10H,5-6,9,16H2,1-4H3
InChIKeyQHRHSSIYLKQKLR-UHFFFAOYSA-N
XLogP2.72
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpropoxy)ethyl 3,5-dimethylbenzoate
CID 140608661
2-(2-methylpropoxy)ethyl 2-amino-3,5-dibromobenzoate
CID 106448200
3-methylbutyl 5-chlorosulfonyl-2,3-dimethylbenzoate
CID 65398507
2-propan-2-yloxyethyl 5-amino-2-fluoro-3-methylbenzoate
CID 103297819
2-propoxyethyl 5-chlorosulfonyl-2,3-dimethylbenzoate
CID 65375891
2-(2-methylpropoxy)ethyl 2-fluoro-3-methyl-5-nitrobenzoate
CID 106450497
2-(2-methylpropoxy)ethyl 2-amino-3-bromobenzoate
CID 106448117
2-(2-methylpropoxy)ethyl 4-fluoro-3-methylbenzoate
CID 106450528
2-propan-2-yloxyethyl 2,3-dimethyl-5-sulfamoylbenzoate
CID 65382072
2-(2-methylpropoxy)ethyl 2-fluoro-4-methoxybenzoate
CID 106450495
2-(2-methylpropoxy)ethyl 2-[2-(methylamino)ethyl]benzoate
CID 106448096
2-(2-methylpropoxy)ethyl 3,5-dipropylbenzoate
CID 140616375

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)ethyl 5-amino-2,3-dimethylbenzoate?
The IUPAC name of 2-(2-methylpropoxy)ethyl 5-amino-2,3-dimethylbenzoate (CID 106448067) is 2-(2-methylpropoxy)ethyl 5-amino-2,3-dimethylbenzoate.
What is the SMILES notation for 2-(2-methylpropoxy)ethyl 5-amino-2,3-dimethylbenzoate?
The canonical SMILES for 2-(2-methylpropoxy)ethyl 5-amino-2,3-dimethylbenzoate is Cc1cc(N)cc(C(=O)OCCOCC(C)C)c1C.
What is the InChIKey of 2-(2-methylpropoxy)ethyl 5-amino-2,3-dimethylbenzoate?
The InChIKey is QHRHSSIYLKQKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(2)9-18-5-6-19-15(17)14-8-13(16)7-11(3)12(14)4/h7-8,10H,5-6,9,16H2,1-4H3.
What are the key properties of 2-(2-methylpropoxy)ethyl 5-amino-2,3-dimethylbenzoate?
2-(2-methylpropoxy)ethyl 5-amino-2,3-dimethylbenzoate has a molecular weight of 265.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)ethyl 5-amino-2,3-dimethylbenzoate is sourced from PubChem (CID 106448067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).