ethyl 5-amino-2-[cyclopropyl(2-methoxyethyl)amino]benzoate

C15H22N2O3 — CID 61455680

IUPACethyl 5-amino-2-[cyclopropyl(2-methoxyethyl)amino]benzoate
SMILESCCOC(=O)c1cc(N)ccc1N(CCOC)C1CC1
InChIInChI=1S/C15H22N2O3/c1-3-20-15(18)13-10-11(16)4-7-14(13)17(8-9-19-2)12-5-6-12/h4,7,10,12H,3,5-6,8-9,16H2,1-2H3
InChIKeyHDGLHZULEVPNOF-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.06
Rot. Bonds7

About ethyl 5-amino-2-[cyclopropyl(2-methoxyethyl)amino]benzoate

ethyl 5-amino-2-[cyclopropyl(2-methoxyethyl)amino]benzoate (PubChem CID 61455680) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 5-amino-2-[cyclopropyl(2-methoxyethyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 5-amino-2-[cyclopropyl(2-methoxyethyl)amino]benzoate
PubChem CID61455680
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 5-amino-2-[cyclopropyl(2-methoxyethyl)amino]benzoate
SMILESCCOC(=O)c1cc(N)ccc1N(CCOC)C1CC1
InChIInChI=1S/C15H22N2O3/c1-3-20-15(18)13-10-11(16)4-7-14(13)17(8-9-19-2)12-5-6-12/h4,7,10,12H,3,5-6,8-9,16H2,1-2H3
InChIKeyHDGLHZULEVPNOF-UHFFFAOYSA-N
XLogP2.06
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]benzoate
CID 54995035
ethyl 5-amino-2-[2-methoxyethyl(methyl)amino]benzoate
CID 61428258
ethyl 5-amino-2-[cyclohexyl(ethyl)amino]benzoate
CID 61307078
methyl 5-amino-2-[2-cyanoethyl(cyclopropyl)amino]benzoate
CID 54997374
5-amino-2-[butyl(cyclopropyl)amino]benzamide
CID 61443918
1-N-cyclopropyl-2-(difluoromethyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 63735637
5-chloro-2-[cyclopropyl(2-methoxyethyl)amino]benzoic acid
CID 55139261
methyl 4-amino-3-[cyclopropyl(2-methoxyethyl)amino]benzoate
CID 82785230
ethyl 5-amino-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzoate
CID 55256946
ethyl 5-amino-2-[2-(dimethylamino)ethyl-methylamino]benzoate
CID 63701067
[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 5-amino-2-(dimethylamino)benzoate
CID 61489001
ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]pyridine-3-carboxylate
CID 114047105

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-[cyclopropyl(2-methoxyethyl)amino]benzoate?
The IUPAC name of ethyl 5-amino-2-[cyclopropyl(2-methoxyethyl)amino]benzoate (CID 61455680) is ethyl 5-amino-2-[cyclopropyl(2-methoxyethyl)amino]benzoate.
What is the SMILES notation for ethyl 5-amino-2-[cyclopropyl(2-methoxyethyl)amino]benzoate?
The canonical SMILES for ethyl 5-amino-2-[cyclopropyl(2-methoxyethyl)amino]benzoate is CCOC(=O)c1cc(N)ccc1N(CCOC)C1CC1.
What is the InChIKey of ethyl 5-amino-2-[cyclopropyl(2-methoxyethyl)amino]benzoate?
The InChIKey is HDGLHZULEVPNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-20-15(18)13-10-11(16)4-7-14(13)17(8-9-19-2)12-5-6-12/h4,7,10,12H,3,5-6,8-9,16H2,1-2H3.
What are the key properties of ethyl 5-amino-2-[cyclopropyl(2-methoxyethyl)amino]benzoate?
ethyl 5-amino-2-[cyclopropyl(2-methoxyethyl)amino]benzoate has a molecular weight of 278.35 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-[cyclopropyl(2-methoxyethyl)amino]benzoate is sourced from PubChem (CID 61455680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).