methyl 3-amino-4-(ethylamino)-5-methoxybenzoate

C11H16N2O3 — CID 129231428

IUPACmethyl 3-amino-4-(ethylamino)-5-methoxybenzoate
SMILESCCNc1c(N)cc(C(=O)OC)cc1OC
InChIInChI=1S/C11H16N2O3/c1-4-13-10-8(12)5-7(11(14)16-3)6-9(10)15-2/h5-6,13H,4,12H2,1-3H3
InChIKeyDGPNDQDDHSRHDM-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.50
Rot. Bonds4

About methyl 3-amino-4-(ethylamino)-5-methoxybenzoate

methyl 3-amino-4-(ethylamino)-5-methoxybenzoate (PubChem CID 129231428) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 3-amino-4-(ethylamino)-5-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-amino-4-(ethylamino)-5-methoxybenzoate
PubChem CID129231428
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Namemethyl 3-amino-4-(ethylamino)-5-methoxybenzoate
SMILESCCNc1c(N)cc(C(=O)OC)cc1OC
InChIInChI=1S/C11H16N2O3/c1-4-13-10-8(12)5-7(11(14)16-3)6-9(10)15-2/h5-6,13H,4,12H2,1-3H3
InChIKeyDGPNDQDDHSRHDM-UHFFFAOYSA-N
XLogP1.50
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.50
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

methyl 3-amino-5-methoxy-4-(methylamino)benzoate
CID 129205768
methyl 3-amino-5-methoxy-4-methylbenzoate
CID 14760985
4-(ethylamino)-3,5-dimethoxybenzoic acid
CID 21280955
1-O-ethyl 4-O-methyl 2,6-dimethoxybenzene-1,4-dicarboxylate
CID 11402920
methyl 4-amino-3-methoxybenzoate
CID 602411
methyl 3-amino-5-methoxy-4-nitrobenzoate
CID 171030677
methyl 4-amino-3-(aminomethyl)-5-methoxybenzoate
CID 122501341
ethyl 3-amino-4-bromo-5-methoxybenzoate
CID 171021080
methyl 3-amino-4-propoxybenzoate
CID 43380309
methyl 3-amino-4-(cyclopropylmethylamino)-5-fluorobenzoate
CID 166524679
methyl 4-bromo-3-methoxy-5-(1-triethylsilylethenyl)benzoate
CID 171118117
methyl 4-amino-3-(2-aminopropyl)-5-methoxybenzoate
CID 166807553

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-(ethylamino)-5-methoxybenzoate?
The IUPAC name of methyl 3-amino-4-(ethylamino)-5-methoxybenzoate (CID 129231428) is methyl 3-amino-4-(ethylamino)-5-methoxybenzoate.
What is the SMILES notation for methyl 3-amino-4-(ethylamino)-5-methoxybenzoate?
The canonical SMILES for methyl 3-amino-4-(ethylamino)-5-methoxybenzoate is CCNc1c(N)cc(C(=O)OC)cc1OC.
What is the InChIKey of methyl 3-amino-4-(ethylamino)-5-methoxybenzoate?
The InChIKey is DGPNDQDDHSRHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-4-13-10-8(12)5-7(11(14)16-3)6-9(10)15-2/h5-6,13H,4,12H2,1-3H3.
What are the key properties of methyl 3-amino-4-(ethylamino)-5-methoxybenzoate?
methyl 3-amino-4-(ethylamino)-5-methoxybenzoate has a molecular weight of 224.26 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-(ethylamino)-5-methoxybenzoate is sourced from PubChem (CID 129231428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).