ethyl 5-amino-2-[2-[ethyl(methyl)amino]ethylamino]benzoate

C14H23N3O2 — CID 62640727

IUPACethyl 5-amino-2-[2-[ethyl(methyl)amino]ethylamino]benzoate
SMILESCCOC(=O)c1cc(N)ccc1NCCN(C)CC
InChIInChI=1S/C14H23N3O2/c1-4-17(3)9-8-16-13-7-6-11(15)10-12(13)14(18)19-5-2/h6-7,10,16H,4-5,8-9,15H2,1-3H3
InChIKeyXKQLZHYDIICMLZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.81
Rot. Bonds7

About ethyl 5-amino-2-[2-[ethyl(methyl)amino]ethylamino]benzoate

ethyl 5-amino-2-[2-[ethyl(methyl)amino]ethylamino]benzoate (PubChem CID 62640727) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is ethyl 5-amino-2-[2-[ethyl(methyl)amino]ethylamino]benzoate.

Molecular Properties

Compound Nameethyl 5-amino-2-[2-[ethyl(methyl)amino]ethylamino]benzoate
PubChem CID62640727
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nameethyl 5-amino-2-[2-[ethyl(methyl)amino]ethylamino]benzoate
SMILESCCOC(=O)c1cc(N)ccc1NCCN(C)CC
InChIInChI=1S/C14H23N3O2/c1-4-17(3)9-8-16-13-7-6-11(15)10-12(13)14(18)19-5-2/h6-7,10,16H,4-5,8-9,15H2,1-3H3
InChIKeyXKQLZHYDIICMLZ-UHFFFAOYSA-N
XLogP1.81
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 61306499
ethyl 5-amino-2-(ethylamino)benzoate
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CID 61312260
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CID 62642562
ethyl 5-amino-2-[2-(trifluoromethylsulfanyl)ethylamino]benzoate
CID 106432642
ethyl 5-amino-2-(2,2-difluoroethylamino)benzoate
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propyl 5-amino-2-(propylamino)benzoate
CID 100638070
ethyl 5-amino-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]benzoate
CID 80684480
ethyl 5-amino-2-[[2-(ethylamino)-2-oxoethyl]amino]benzoate
CID 61307532
ethyl 5-amino-2-[2-(5-bromothiophen-2-yl)ethylamino]benzoate
CID 106039784
ethyl 5-amino-2-[(3-methyl-4-pyridinyl)methylamino]benzoate
CID 114701709
ethyl 5-amino-2-(2-methylpentan-2-ylamino)benzoate
CID 113471979

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-[2-[ethyl(methyl)amino]ethylamino]benzoate?
The IUPAC name of ethyl 5-amino-2-[2-[ethyl(methyl)amino]ethylamino]benzoate (CID 62640727) is ethyl 5-amino-2-[2-[ethyl(methyl)amino]ethylamino]benzoate.
What is the SMILES notation for ethyl 5-amino-2-[2-[ethyl(methyl)amino]ethylamino]benzoate?
The canonical SMILES for ethyl 5-amino-2-[2-[ethyl(methyl)amino]ethylamino]benzoate is CCOC(=O)c1cc(N)ccc1NCCN(C)CC.
What is the InChIKey of ethyl 5-amino-2-[2-[ethyl(methyl)amino]ethylamino]benzoate?
The InChIKey is XKQLZHYDIICMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-17(3)9-8-16-13-7-6-11(15)10-12(13)14(18)19-5-2/h6-7,10,16H,4-5,8-9,15H2,1-3H3.
What are the key properties of ethyl 5-amino-2-[2-[ethyl(methyl)amino]ethylamino]benzoate?
ethyl 5-amino-2-[2-[ethyl(methyl)amino]ethylamino]benzoate has a molecular weight of 265.36 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-[2-[ethyl(methyl)amino]ethylamino]benzoate is sourced from PubChem (CID 62640727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).