ethyl 2-amino-5-(2-propan-2-yloxyethoxy)benzoate

C14H21NO4 — CID 61307579

IUPACethyl 2-amino-5-(2-propan-2-yloxyethoxy)benzoate
SMILESCCOC(=O)c1cc(OCCOC(C)C)ccc1N
InChIInChI=1S/C14H21NO4/c1-4-17-14(16)12-9-11(5-6-13(12)15)19-8-7-18-10(2)3/h5-6,9-10H,4,7-8,15H2,1-3H3
InChIKeyIIOARGKGBCNKKZ-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.25
Rot. Bonds7

About ethyl 2-amino-5-(2-propan-2-yloxyethoxy)benzoate

ethyl 2-amino-5-(2-propan-2-yloxyethoxy)benzoate (PubChem CID 61307579) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is ethyl 2-amino-5-(2-propan-2-yloxyethoxy)benzoate.

Molecular Properties

Compound Nameethyl 2-amino-5-(2-propan-2-yloxyethoxy)benzoate
PubChem CID61307579
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Nameethyl 2-amino-5-(2-propan-2-yloxyethoxy)benzoate
SMILESCCOC(=O)c1cc(OCCOC(C)C)ccc1N
InChIInChI=1S/C14H21NO4/c1-4-17-14(16)12-9-11(5-6-13(12)15)19-8-7-18-10(2)3/h5-6,9-10H,4,7-8,15H2,1-3H3
InChIKeyIIOARGKGBCNKKZ-UHFFFAOYSA-N
XLogP2.25
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

ethyl 2-amino-5-(3-methylbutoxy)benzoate
CID 61307572
ethyl 2-amino-5-[2-(dimethylamino)ethoxy]benzoate
CID 61306548
ethyl 2-amino-5-[3-(dimethylamino)propoxy]benzoate
CID 61307433
ethyl 2-amino-5-(4-methoxy-4-oxobutoxy)benzoate
CID 63997339
ethyl 5-amino-2-(2-propan-2-yloxyethoxy)pyridine-3-carboxylate
CID 114047587
ethyl 2-amino-5-butan-2-ylbenzoate
CID 60836112
ethyl 2-amino-5-(4-methylphenoxy)benzoate
CID 63423730
2-amino-5-(2-ethoxyethoxy)benzamide
CID 61306678
ethyl 2-amino-5-(4-bromophenoxy)benzoate
CID 63423182
1-[2-amino-5-(3-methylbutoxy)phenyl]ethanone
CID 104613220
2-amino-5-propoxybenzoic acid
CID 12719187
2-amino-5-(2-methoxyethoxy)benzoic acid
CID 12719199

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(2-propan-2-yloxyethoxy)benzoate?
The IUPAC name of ethyl 2-amino-5-(2-propan-2-yloxyethoxy)benzoate (CID 61307579) is ethyl 2-amino-5-(2-propan-2-yloxyethoxy)benzoate.
What is the SMILES notation for ethyl 2-amino-5-(2-propan-2-yloxyethoxy)benzoate?
The canonical SMILES for ethyl 2-amino-5-(2-propan-2-yloxyethoxy)benzoate is CCOC(=O)c1cc(OCCOC(C)C)ccc1N.
What is the InChIKey of ethyl 2-amino-5-(2-propan-2-yloxyethoxy)benzoate?
The InChIKey is IIOARGKGBCNKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-4-17-14(16)12-9-11(5-6-13(12)15)19-8-7-18-10(2)3/h5-6,9-10H,4,7-8,15H2,1-3H3.
What are the key properties of ethyl 2-amino-5-(2-propan-2-yloxyethoxy)benzoate?
ethyl 2-amino-5-(2-propan-2-yloxyethoxy)benzoate has a molecular weight of 267.32 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-(2-propan-2-yloxyethoxy)benzoate is sourced from PubChem (CID 61307579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).