ethyl 3-amino-2-[cyclopropylmethyl(ethyl)amino]benzoate

C15H22N2O2 — CID 112579017

IUPACethyl 3-amino-2-[cyclopropylmethyl(ethyl)amino]benzoate
SMILESCCOC(=O)c1cccc(N)c1N(CC)CC1CC1
InChIInChI=1S/C15H22N2O2/c1-3-17(10-11-8-9-11)14-12(15(18)19-4-2)6-5-7-13(14)16/h5-7,11H,3-4,8-10,16H2,1-2H3
InChIKeyYXYCEBMEBBBYKI-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.68
Rot. Bonds6

About ethyl 3-amino-2-[cyclopropylmethyl(ethyl)amino]benzoate

ethyl 3-amino-2-[cyclopropylmethyl(ethyl)amino]benzoate (PubChem CID 112579017) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 3-amino-2-[cyclopropylmethyl(ethyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3-amino-2-[cyclopropylmethyl(ethyl)amino]benzoate
PubChem CID112579017
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethyl 3-amino-2-[cyclopropylmethyl(ethyl)amino]benzoate
SMILESCCOC(=O)c1cccc(N)c1N(CC)CC1CC1
InChIInChI=1S/C15H22N2O2/c1-3-17(10-11-8-9-11)14-12(15(18)19-4-2)6-5-7-13(14)16/h5-7,11H,3-4,8-10,16H2,1-2H3
InChIKeyYXYCEBMEBBBYKI-UHFFFAOYSA-N
XLogP2.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-amino-2-[cyclopropylmethyl(methyl)amino]benzoate
CID 112578270
ethyl 3-amino-2-[cyclohexyl(methyl)amino]benzoate
CID 115933967
methyl 3-amino-2-[cyclopropylmethyl(propan-2-yl)amino]benzoate
CID 112578588
ethyl 3-amino-2-[methyl(oxan-3-ylmethyl)amino]benzoate
CID 115935039
ethyl 3-amino-2-[cyclopentyl(2-hydroxyethyl)amino]benzoate
CID 115934585
methyl 3-amino-2-[(2-amino-2-oxoethyl)-ethylamino]benzoate
CID 103103931
ethyl 3-amino-2-[methyl(pyridin-3-yl)amino]benzoate
CID 115935077
ethyl 3-amino-2-(4-ethylpiperidin-1-yl)benzoate
CID 115934299
ethyl 3-amino-2-(2-cyclopropylethylamino)benzoate
CID 112579170
ethyl 3-amino-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]benzoate
CID 113476165
ethyl 3-amino-2-(4-fluoro-N-methylanilino)benzoate
CID 115934746
ethyl 3-amino-2-[methyl(pentan-2-yl)amino]benzoate
CID 112578209

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-[cyclopropylmethyl(ethyl)amino]benzoate?
The IUPAC name of ethyl 3-amino-2-[cyclopropylmethyl(ethyl)amino]benzoate (CID 112579017) is ethyl 3-amino-2-[cyclopropylmethyl(ethyl)amino]benzoate.
What is the SMILES notation for ethyl 3-amino-2-[cyclopropylmethyl(ethyl)amino]benzoate?
The canonical SMILES for ethyl 3-amino-2-[cyclopropylmethyl(ethyl)amino]benzoate is CCOC(=O)c1cccc(N)c1N(CC)CC1CC1.
What is the InChIKey of ethyl 3-amino-2-[cyclopropylmethyl(ethyl)amino]benzoate?
The InChIKey is YXYCEBMEBBBYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-17(10-11-8-9-11)14-12(15(18)19-4-2)6-5-7-13(14)16/h5-7,11H,3-4,8-10,16H2,1-2H3.
What are the key properties of ethyl 3-amino-2-[cyclopropylmethyl(ethyl)amino]benzoate?
ethyl 3-amino-2-[cyclopropylmethyl(ethyl)amino]benzoate has a molecular weight of 262.35 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-[cyclopropylmethyl(ethyl)amino]benzoate is sourced from PubChem (CID 112579017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).