2-(diethylamino)ethyl 2-(3-aminophenyl)acetate

C14H22N2O2 — CID 62499206

IUPAC2-(diethylamino)ethyl 2-(3-aminophenyl)acetate
SMILESCCN(CC)CCOC(=O)Cc1cccc(N)c1
InChIInChI=1S/C14H22N2O2/c1-3-16(4-2)8-9-18-14(17)11-12-6-5-7-13(15)10-12/h5-7,10H,3-4,8-9,11,15H2,1-2H3
InChIKeyDCKDBPPVQAHKRQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.70
Rot. Bonds7

About 2-(diethylamino)ethyl 2-(3-aminophenyl)acetate

2-(diethylamino)ethyl 2-(3-aminophenyl)acetate (PubChem CID 62499206) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-(3-aminophenyl)acetate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-(3-aminophenyl)acetate
PubChem CID62499206
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(diethylamino)ethyl 2-(3-aminophenyl)acetate
SMILESCCN(CC)CCOC(=O)Cc1cccc(N)c1
InChIInChI=1S/C14H22N2O2/c1-3-16(4-2)8-9-18-14(17)11-12-6-5-7-13(15)10-12/h5-7,10H,3-4,8-9,11,15H2,1-2H3
InChIKeyDCKDBPPVQAHKRQ-UHFFFAOYSA-N
XLogP1.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.70
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

(3-amino-3-oxopropyl) 2-(3-aminophenyl)acetate
CID 62500505
methyl 4-[2-(3-aminophenyl)acetyl]oxybutanoate
CID 62498068
[3-(methylamino)-3-oxopropyl] 2-(3-aminophenyl)acetate
CID 62500028
[2-(dimethylamino)-2-oxoethyl] 2-(3-aminophenyl)acetate
CID 62499868
5-hydroxypentyl 2-(3-aminophenyl)acetate
CID 62500174
(2-amino-2-oxoethyl) 2-(3-aminophenyl)acetate
CID 62499377
phenylmethoxymethyl 2-(3-aminophenyl)acetate
CID 102940348
2,2-difluoroethyl 2-(3-aminophenyl)acetate
CID 62500335
2-(3-aminophenyl)acetic acid;propanoic acid
CID 175479045
2-(3-aminophenyl)-N-ethyl-N-propan-2-ylacetamide
CID 62498182
2-[(3-aminophenyl)methyl-(2-propoxyethyl)amino]acetamide
CID 106453572
S-ethyl 2-(3-aminophenyl)ethanethioate
CID 21201588

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-(3-aminophenyl)acetate?
The IUPAC name of 2-(diethylamino)ethyl 2-(3-aminophenyl)acetate (CID 62499206) is 2-(diethylamino)ethyl 2-(3-aminophenyl)acetate.
What is the SMILES notation for 2-(diethylamino)ethyl 2-(3-aminophenyl)acetate?
The canonical SMILES for 2-(diethylamino)ethyl 2-(3-aminophenyl)acetate is CCN(CC)CCOC(=O)Cc1cccc(N)c1.
What is the InChIKey of 2-(diethylamino)ethyl 2-(3-aminophenyl)acetate?
The InChIKey is DCKDBPPVQAHKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-16(4-2)8-9-18-14(17)11-12-6-5-7-13(15)10-12/h5-7,10H,3-4,8-9,11,15H2,1-2H3.
What are the key properties of 2-(diethylamino)ethyl 2-(3-aminophenyl)acetate?
2-(diethylamino)ethyl 2-(3-aminophenyl)acetate has a molecular weight of 250.34 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-(3-aminophenyl)acetate is sourced from PubChem (CID 62499206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).