1-(diethylamino)ethyl 2-aminobenzoate

C13H20N2O2 — CID 174645415

IUPAC1-(diethylamino)ethyl 2-aminobenzoate
SMILESCCN(CC)C(C)OC(=O)c1ccccc1N
InChIInChI=1S/C13H20N2O2/c1-4-15(5-2)10(3)17-13(16)11-8-6-7-9-12(11)14/h6-10H,4-5,14H2,1-3H3
InChIKeyRWWKDOUQHWTBHR-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.11
Rot. Bonds5

About 1-(diethylamino)ethyl 2-aminobenzoate

1-(diethylamino)ethyl 2-aminobenzoate (PubChem CID 174645415) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(diethylamino)ethyl 2-aminobenzoate.

Molecular Properties

Compound Name1-(diethylamino)ethyl 2-aminobenzoate
PubChem CID174645415
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(diethylamino)ethyl 2-aminobenzoate
SMILESCCN(CC)C(C)OC(=O)c1ccccc1N
InChIInChI=1S/C13H20N2O2/c1-4-15(5-2)10(3)17-13(16)11-8-6-7-9-12(11)14/h6-10H,4-5,14H2,1-3H3
InChIKeyRWWKDOUQHWTBHR-UHFFFAOYSA-N
XLogP2.11
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-hydroxypropyl 2-aminobenzoate
CID 22287850
1-(diethylamino)ethyl 2-acetyloxybenzoate
CID 3014546
4-methylpentan-2-yl 2-aminobenzoate
CID 61278616
(1-amino-1-oxopropan-2-yl) 2-aminobenzoate
CID 60625431
1,3-dihydroxypropan-2-yl 2-aminobenzoate
CID 67638206
1-(diethylamino)ethyl 2,2-diphenylacetate
CID 23615531
octan-3-yl 2-aminobenzoate
CID 135329802
[(2S)-2-amino-3-methylbutyl] 2-aminobenzoate
CID 10977037
2-amino-N-butan-2-yl-N-ethylbenzamide
CID 43274061
(3-methyl-2-oxohexyl) 2-aminobenzoate
CID 135303937
2-aminobenzoic acid;N,N-diethylethanamine
CID 69228024
1-(diethylamino)ethyl acetate;hydrochloride
CID 175006388

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)ethyl 2-aminobenzoate?
The IUPAC name of 1-(diethylamino)ethyl 2-aminobenzoate (CID 174645415) is 1-(diethylamino)ethyl 2-aminobenzoate.
What is the SMILES notation for 1-(diethylamino)ethyl 2-aminobenzoate?
The canonical SMILES for 1-(diethylamino)ethyl 2-aminobenzoate is CCN(CC)C(C)OC(=O)c1ccccc1N.
What is the InChIKey of 1-(diethylamino)ethyl 2-aminobenzoate?
The InChIKey is RWWKDOUQHWTBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-15(5-2)10(3)17-13(16)11-8-6-7-9-12(11)14/h6-10H,4-5,14H2,1-3H3.
What are the key properties of 1-(diethylamino)ethyl 2-aminobenzoate?
1-(diethylamino)ethyl 2-aminobenzoate has a molecular weight of 236.31 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)ethyl 2-aminobenzoate is sourced from PubChem (CID 174645415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).