ethyl 5-amino-2-(2-methylpentan-2-ylamino)benzoate

C15H24N2O2 — CID 113471979

IUPACethyl 5-amino-2-(2-methylpentan-2-ylamino)benzoate
SMILESCCCC(C)(C)Nc1ccc(N)cc1C(=O)OCC
InChIInChI=1S/C15H24N2O2/c1-5-9-15(3,4)17-13-8-7-11(16)10-12(13)14(18)19-6-2/h7-8,10,17H,5-6,9,16H2,1-4H3
InChIKeyMWKJMZYMUCMGQQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.44
Rot. Bonds6

About ethyl 5-amino-2-(2-methylpentan-2-ylamino)benzoate

ethyl 5-amino-2-(2-methylpentan-2-ylamino)benzoate (PubChem CID 113471979) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is ethyl 5-amino-2-(2-methylpentan-2-ylamino)benzoate.

Molecular Properties

Compound Nameethyl 5-amino-2-(2-methylpentan-2-ylamino)benzoate
PubChem CID113471979
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nameethyl 5-amino-2-(2-methylpentan-2-ylamino)benzoate
SMILESCCCC(C)(C)Nc1ccc(N)cc1C(=O)OCC
InChIInChI=1S/C15H24N2O2/c1-5-9-15(3,4)17-13-8-7-11(16)10-12(13)14(18)19-6-2/h7-8,10,17H,5-6,9,16H2,1-4H3
InChIKeyMWKJMZYMUCMGQQ-UHFFFAOYSA-N
XLogP3.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-amino-2-(ethylamino)benzoate
CID 61313445
methyl 5-amino-2-(2-methylbutan-2-ylamino)benzoate
CID 61312271
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CID 61306499
4-amino-2-(2-methylpentan-2-ylamino)benzamide
CID 113471591
ethyl 5-amino-2-(2,2-difluoroethylamino)benzoate
CID 115408428
ethyl 5-amino-2-[[2-(ethylamino)-2-oxoethyl]amino]benzoate
CID 61307532
ethyl 5-amino-2-(2-methylsulfonylethylamino)benzoate
CID 61312260
ethyl 5-amino-2-[2-(trifluoromethylsulfanyl)ethylamino]benzoate
CID 106432642
propyl 5-amino-2-(ethylamino)benzoate
CID 100637868
ethyl 5-amino-2-[(1-amino-1-oxopropan-2-yl)amino]benzoate
CID 61306773
ethyl 5-amino-2-(4-ethylanilino)benzoate
CID 63425348
ethyl 5-amino-2-[2-[ethyl(methyl)amino]ethylamino]benzoate
CID 62640727

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(2-methylpentan-2-ylamino)benzoate?
The IUPAC name of ethyl 5-amino-2-(2-methylpentan-2-ylamino)benzoate (CID 113471979) is ethyl 5-amino-2-(2-methylpentan-2-ylamino)benzoate.
What is the SMILES notation for ethyl 5-amino-2-(2-methylpentan-2-ylamino)benzoate?
The canonical SMILES for ethyl 5-amino-2-(2-methylpentan-2-ylamino)benzoate is CCCC(C)(C)Nc1ccc(N)cc1C(=O)OCC.
What is the InChIKey of ethyl 5-amino-2-(2-methylpentan-2-ylamino)benzoate?
The InChIKey is MWKJMZYMUCMGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-9-15(3,4)17-13-8-7-11(16)10-12(13)14(18)19-6-2/h7-8,10,17H,5-6,9,16H2,1-4H3.
What are the key properties of ethyl 5-amino-2-(2-methylpentan-2-ylamino)benzoate?
ethyl 5-amino-2-(2-methylpentan-2-ylamino)benzoate has a molecular weight of 264.37 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(2-methylpentan-2-ylamino)benzoate is sourced from PubChem (CID 113471979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).