methyl 2-amino-5-[benzyl(ethyl)amino]benzoate

C17H20N2O2 — CID 61307302

IUPACmethyl 2-amino-5-[benzyl(ethyl)amino]benzoate
SMILESCCN(Cc1ccccc1)c1ccc(N)c(C(=O)OC)c1
InChIInChI=1S/C17H20N2O2/c1-3-19(12-13-7-5-4-6-8-13)14-9-10-16(18)15(11-14)17(20)21-2/h4-11H,3,12,18H2,1-2H3
InChIKeyRQBRVGAWKORAJZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.08
Rot. Bonds5

About methyl 2-amino-5-[benzyl(ethyl)amino]benzoate

methyl 2-amino-5-[benzyl(ethyl)amino]benzoate (PubChem CID 61307302) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 2-amino-5-[benzyl(ethyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-5-[benzyl(ethyl)amino]benzoate
PubChem CID61307302
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Namemethyl 2-amino-5-[benzyl(ethyl)amino]benzoate
SMILESCCN(Cc1ccccc1)c1ccc(N)c(C(=O)OC)c1
InChIInChI=1S/C17H20N2O2/c1-3-19(12-13-7-5-4-6-8-13)14-9-10-16(18)15(11-14)17(20)21-2/h4-11H,3,12,18H2,1-2H3
InChIKeyRQBRVGAWKORAJZ-UHFFFAOYSA-N
XLogP3.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.08
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

2-amino-5-(dibenzylamino)benzoic acid
CID 91288703
methyl 2-amino-3-[benzyl(ethyl)amino]benzoate
CID 115544694
methyl 2-amino-5-[(3-bromophenyl)methyl-methylamino]benzoate
CID 63423524
methyl 2-amino-5-(N-ethyl-4-methylanilino)benzoate
CID 63423395
methyl N-[4-[benzyl(ethyl)amino]phenyl]carbamate
CID 112982866
methyl 2-[[5-[benzyl(ethyl)amino]pyridine-2-carbonyl]amino]benzoate
CID 109190861
4-N-benzyl-2-methyl-4-N-propylbenzene-1,4-diamine
CID 43587676
1-N-benzyl-1-N-ethyl-4-methylsulfonylbenzene-1,3-diamine
CID 56831949
2-amino-4-[benzyl(ethyl)amino]benzenesulfonamide
CID 79466847
4-[(N-ethylanilino)methyl]-2-methylaniline
CID 28599045
1-N-benzyl-1-N-ethyl-4-nitrobenzene-1,3-diamine
CID 106751418
ethyl 2-amino-5-[ethyl(2-methylpropyl)amino]benzoate
CID 61307468

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-[benzyl(ethyl)amino]benzoate?
The IUPAC name of methyl 2-amino-5-[benzyl(ethyl)amino]benzoate (CID 61307302) is methyl 2-amino-5-[benzyl(ethyl)amino]benzoate.
What is the SMILES notation for methyl 2-amino-5-[benzyl(ethyl)amino]benzoate?
The canonical SMILES for methyl 2-amino-5-[benzyl(ethyl)amino]benzoate is CCN(Cc1ccccc1)c1ccc(N)c(C(=O)OC)c1.
What is the InChIKey of methyl 2-amino-5-[benzyl(ethyl)amino]benzoate?
The InChIKey is RQBRVGAWKORAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-19(12-13-7-5-4-6-8-13)14-9-10-16(18)15(11-14)17(20)21-2/h4-11H,3,12,18H2,1-2H3.
What are the key properties of methyl 2-amino-5-[benzyl(ethyl)amino]benzoate?
methyl 2-amino-5-[benzyl(ethyl)amino]benzoate has a molecular weight of 284.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-[benzyl(ethyl)amino]benzoate is sourced from PubChem (CID 61307302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).