2-(dimethylamino)ethyl 2-amino-3,5-dimethoxybenzoate

C13H20N2O4 — CID 112606170

IUPAC2-(dimethylamino)ethyl 2-amino-3,5-dimethoxybenzoate
SMILESCOc1cc(OC)c(N)c(C(=O)OCCN(C)C)c1
InChIInChI=1S/C13H20N2O4/c1-15(2)5-6-19-13(16)10-7-9(17-3)8-11(18-4)12(10)14/h7-8H,5-6,14H2,1-4H3
InChIKeyMCMMGNRKPLQVMN-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.00
Rot. Bonds6

About 2-(dimethylamino)ethyl 2-amino-3,5-dimethoxybenzoate

2-(dimethylamino)ethyl 2-amino-3,5-dimethoxybenzoate (PubChem CID 112606170) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-amino-3,5-dimethoxybenzoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-amino-3,5-dimethoxybenzoate
PubChem CID112606170
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-(dimethylamino)ethyl 2-amino-3,5-dimethoxybenzoate
SMILESCOc1cc(OC)c(N)c(C(=O)OCCN(C)C)c1
InChIInChI=1S/C13H20N2O4/c1-15(2)5-6-19-13(16)10-7-9(17-3)8-11(18-4)12(10)14/h7-8H,5-6,14H2,1-4H3
InChIKeyMCMMGNRKPLQVMN-UHFFFAOYSA-N
XLogP1.00
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylamino)ethyl 2-amino-3,5-dimethoxybenzoate
CID 115950843
[3-(dimethylamino)-3-oxopropyl] 2-amino-3,5-dimethoxybenzoate
CID 115950825
2-(trifluoromethylsulfanyl)ethyl 2-amino-3,5-dimethoxybenzoate
CID 116617304
2-amino-N-[4-(dimethylamino)butan-2-yl]-3,5-dimethoxybenzamide
CID 115950608
2-(dimethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate
CID 10802184
2-amino-3,5-dimethoxy-N,N-dipropylbenzamide
CID 115950412
cyclopentylmethyl 2-amino-3,5-dimethoxybenzoate
CID 115604510
2-amino-N-(2-amino-2-oxoethyl)-3,5-dimethoxy-N-methylbenzamide
CID 112606101
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-N-methylbenzamide
CID 115950484
(1-amino-1-oxobutan-2-yl) 2-amino-3,5-dimethoxybenzoate
CID 115605847
2-amino-N-ethyl-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 112606111
(1-ethoxy-1-oxopropan-2-yl) 2-amino-3,5-dimethoxybenzoate
CID 115626344

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-amino-3,5-dimethoxybenzoate?
The IUPAC name of 2-(dimethylamino)ethyl 2-amino-3,5-dimethoxybenzoate (CID 112606170) is 2-(dimethylamino)ethyl 2-amino-3,5-dimethoxybenzoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-amino-3,5-dimethoxybenzoate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-amino-3,5-dimethoxybenzoate is COc1cc(OC)c(N)c(C(=O)OCCN(C)C)c1.
What is the InChIKey of 2-(dimethylamino)ethyl 2-amino-3,5-dimethoxybenzoate?
The InChIKey is MCMMGNRKPLQVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-15(2)5-6-19-13(16)10-7-9(17-3)8-11(18-4)12(10)14/h7-8H,5-6,14H2,1-4H3.
What are the key properties of 2-(dimethylamino)ethyl 2-amino-3,5-dimethoxybenzoate?
2-(dimethylamino)ethyl 2-amino-3,5-dimethoxybenzoate has a molecular weight of 268.31 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-amino-3,5-dimethoxybenzoate is sourced from PubChem (CID 112606170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).