ethyl 2-amino-3-[methyl(2-methylbutyl)amino]benzoate

C15H24N2O2 — CID 113332566

IUPACethyl 2-amino-3-[methyl(2-methylbutyl)amino]benzoate
SMILESCCOC(=O)c1cccc(N(C)CC(C)CC)c1N
InChIInChI=1S/C15H24N2O2/c1-5-11(3)10-17(4)13-9-7-8-12(14(13)16)15(18)19-6-2/h7-9,11H,5-6,10,16H2,1-4H3
InChIKeyPSHVBTJEVREERP-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.93
Rot. Bonds6

About ethyl 2-amino-3-[methyl(2-methylbutyl)amino]benzoate

ethyl 2-amino-3-[methyl(2-methylbutyl)amino]benzoate (PubChem CID 113332566) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is ethyl 2-amino-3-[methyl(2-methylbutyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[methyl(2-methylbutyl)amino]benzoate
PubChem CID113332566
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nameethyl 2-amino-3-[methyl(2-methylbutyl)amino]benzoate
SMILESCCOC(=O)c1cccc(N(C)CC(C)CC)c1N
InChIInChI=1S/C15H24N2O2/c1-5-11(3)10-17(4)13-9-7-8-12(14(13)16)15(18)19-6-2/h7-9,11H,5-6,10,16H2,1-4H3
InChIKeyPSHVBTJEVREERP-UHFFFAOYSA-N
XLogP2.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.93
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 2-amino-3-[(5-chlorothiophen-2-yl)methyl-methylamino]benzoate
CID 115545135
ethyl 2-amino-3-[2-hydroxyethyl(pentan-3-yl)amino]benzoate
CID 115545495
ethyl 2-amino-3-[methyl(oxolan-2-ylmethyl)amino]benzoate
CID 115545114
ethyl 2-amino-3-[methyl-(2-methyloxolan-3-yl)amino]benzoate
CID 82747937
ethyl 2-amino-3-(2-chloroacetyl)benzoate
CID 175008428
azane;ethyl 2-(dimethylamino)benzoate
CID 70426390
ethyl 5-amino-2-[ethyl(2-methylbutyl)amino]benzoate
CID 79470096
methyl 2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]benzoate
CID 103190547
ethyl 2-amino-3-[(2-amino-2-oxoethyl)-butylamino]benzoate
CID 115545550
ethyl 2-amino-3-[propyl(2,2,2-trifluoroethyl)amino]benzoate
CID 115545578
ethyl 2-amino-3-propylbenzoate
CID 60835647
2-amino-3-[[2-(diethylamino)-2-oxoethyl]-methylamino]benzamide
CID 115545191

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[methyl(2-methylbutyl)amino]benzoate?
The IUPAC name of ethyl 2-amino-3-[methyl(2-methylbutyl)amino]benzoate (CID 113332566) is ethyl 2-amino-3-[methyl(2-methylbutyl)amino]benzoate.
What is the SMILES notation for ethyl 2-amino-3-[methyl(2-methylbutyl)amino]benzoate?
The canonical SMILES for ethyl 2-amino-3-[methyl(2-methylbutyl)amino]benzoate is CCOC(=O)c1cccc(N(C)CC(C)CC)c1N.
What is the InChIKey of ethyl 2-amino-3-[methyl(2-methylbutyl)amino]benzoate?
The InChIKey is PSHVBTJEVREERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-11(3)10-17(4)13-9-7-8-12(14(13)16)15(18)19-6-2/h7-9,11H,5-6,10,16H2,1-4H3.
What are the key properties of ethyl 2-amino-3-[methyl(2-methylbutyl)amino]benzoate?
ethyl 2-amino-3-[methyl(2-methylbutyl)amino]benzoate has a molecular weight of 264.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[methyl(2-methylbutyl)amino]benzoate is sourced from PubChem (CID 113332566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).