2-(diethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate

C14H21ClN2O3 — CID 5191

IUPAC2-(diethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate
SMILESCCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC
InChIInChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3
InChIKeyFFNWMBDISAYHDC-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.43
Rot. Bonds7

About 2-(diethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate

2-(diethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate (PubChem CID 5191) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate
PubChem CID5191
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name2-(diethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate
SMILESCCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC
InChIInChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3
InChIKeyFFNWMBDISAYHDC-UHFFFAOYSA-N
XLogP2.43
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate?
The IUPAC name of 2-(diethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate (CID 5191) is 2-(diethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate.
What is the SMILES notation for 2-(diethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate?
The canonical SMILES for 2-(diethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate is CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC.
What is the InChIKey of 2-(diethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate?
The InChIKey is FFNWMBDISAYHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3.
What are the key properties of 2-(diethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate?
2-(diethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate has a molecular weight of 300.79 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate is sourced from PubChem (CID 5191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).