methyl 2-amino-4-[2-[ethyl(methyl)amino]phenyl]benzoate

C17H20N2O2 — CID 58508765

IUPACmethyl 2-amino-4-[2-[ethyl(methyl)amino]phenyl]benzoate
SMILESCCN(C)c1ccccc1-c1ccc(C(=O)OC)c(N)c1
InChIInChI=1S/C17H20N2O2/c1-4-19(2)16-8-6-5-7-13(16)12-9-10-14(15(18)11-12)17(20)21-3/h5-11H,4,18H2,1-3H3
InChIKeyLVPITACHMPBZOY-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.18
Rot. Bonds4

About methyl 2-amino-4-[2-[ethyl(methyl)amino]phenyl]benzoate

methyl 2-amino-4-[2-[ethyl(methyl)amino]phenyl]benzoate (PubChem CID 58508765) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 2-amino-4-[2-[ethyl(methyl)amino]phenyl]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-4-[2-[ethyl(methyl)amino]phenyl]benzoate
PubChem CID58508765
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Namemethyl 2-amino-4-[2-[ethyl(methyl)amino]phenyl]benzoate
SMILESCCN(C)c1ccccc1-c1ccc(C(=O)OC)c(N)c1
InChIInChI=1S/C17H20N2O2/c1-4-19(2)16-8-6-5-7-13(16)12-9-10-14(15(18)11-12)17(20)21-3/h5-11H,4,18H2,1-3H3
InChIKeyLVPITACHMPBZOY-UHFFFAOYSA-N
XLogP3.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.18
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

methyl 2-amino-4-phenylbenzoate
CID 53412316
methyl 2-amino-4-(2-methoxy-5-methylphenyl)benzoate
CID 82572853
dimethyl 2,5-bis[2-[methyl(octyl)amino]phenyl]benzene-1,4-dicarboxylate
CID 141477953
methyl 2-amino-5-(2-fluorophenyl)benzoate
CID 82572889
methyl 2-amino-4-propanoylbenzoate
CID 134648502
methyl 2-amino-4-(hydroxymethyl)benzoate
CID 602338
methyl 2-amino-4-(2-phenyl-3,4-dihydropyrazol-5-yl)benzoate
CID 54229212
sodium;4-[2-[ethyl(methyl)amino]phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid;hydride
CID 173036822
methyl 2-amino-4-(fluoromethyl)benzoate
CID 59164407
methyl 2-amino-4-methyl-5-phenylbenzoate
CID 113445321
methyl 2-amino-4-tert-butylbenzoate
CID 45089764
methyl 2-amino-3-[ethyl-(2-fluorophenyl)carbamoyl]oxybenzoate
CID 154323114

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-[2-[ethyl(methyl)amino]phenyl]benzoate?
The IUPAC name of methyl 2-amino-4-[2-[ethyl(methyl)amino]phenyl]benzoate (CID 58508765) is methyl 2-amino-4-[2-[ethyl(methyl)amino]phenyl]benzoate.
What is the SMILES notation for methyl 2-amino-4-[2-[ethyl(methyl)amino]phenyl]benzoate?
The canonical SMILES for methyl 2-amino-4-[2-[ethyl(methyl)amino]phenyl]benzoate is CCN(C)c1ccccc1-c1ccc(C(=O)OC)c(N)c1.
What is the InChIKey of methyl 2-amino-4-[2-[ethyl(methyl)amino]phenyl]benzoate?
The InChIKey is LVPITACHMPBZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-4-19(2)16-8-6-5-7-13(16)12-9-10-14(15(18)11-12)17(20)21-3/h5-11H,4,18H2,1-3H3.
What are the key properties of methyl 2-amino-4-[2-[ethyl(methyl)amino]phenyl]benzoate?
methyl 2-amino-4-[2-[ethyl(methyl)amino]phenyl]benzoate has a molecular weight of 284.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-[2-[ethyl(methyl)amino]phenyl]benzoate is sourced from PubChem (CID 58508765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).