ethyl 2-(4-aminophenyl)-2-[4-(diethylamino)phenyl]acetate

C20H26N2O2 — CID 102131623

IUPACethyl 2-(4-aminophenyl)-2-[4-(diethylamino)phenyl]acetate
SMILESCCOC(=O)C(c1ccc(N)cc1)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C20H26N2O2/c1-4-22(5-2)18-13-9-16(10-14-18)19(20(23)24-6-3)15-7-11-17(21)12-8-15/h7-14,19H,4-6,21H2,1-3H3
InChIKeyFINMMLOUQFAYOB-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.81
Rot. Bonds7

About ethyl 2-(4-aminophenyl)-2-[4-(diethylamino)phenyl]acetate

ethyl 2-(4-aminophenyl)-2-[4-(diethylamino)phenyl]acetate (PubChem CID 102131623) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is ethyl 2-(4-aminophenyl)-2-[4-(diethylamino)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-(4-aminophenyl)-2-[4-(diethylamino)phenyl]acetate
PubChem CID102131623
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Nameethyl 2-(4-aminophenyl)-2-[4-(diethylamino)phenyl]acetate
SMILESCCOC(=O)C(c1ccc(N)cc1)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C20H26N2O2/c1-4-22(5-2)18-13-9-16(10-14-18)19(20(23)24-6-3)15-7-11-17(21)12-8-15/h7-14,19H,4-6,21H2,1-3H3
InChIKeyFINMMLOUQFAYOB-UHFFFAOYSA-N
XLogP3.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(4-amino-N-ethylanilino)acetate
CID 63233621
ethyl (3R)-3-amino-3-[4-(diethylamino)phenyl]-2-fluoropropanoate;hydrochloride
CID 171242338
4-N,4-N-diethylbenzene-1,4-diamine chloride
CID 18327270
4-N,4-N-diethylbenzene-1,4-diamine;2-fluoroacetic acid
CID 88776124
ethyl (2S)-2-(4-aminophenyl)-2-bromoacetate
CID 97296459
ethyl 3-(4-aminophenyl)-2,3-dihydroxypropanoate
CID 171865608
2-(4-amino-N-ethylanilino)-N-methylacetamide
CID 43577916
ethyl (2R)-2-(4-aminophenyl)hexanoate
CID 124565457
N-[3-(4-aminophenyl)butyl]-N-ethyl-4-methylaniline
CID 104501623
methyl (3S)-3-amino-3-[4-(diethylamino)phenyl]propanoate
CID 165494439
ethyl 3-amino-3-(4-aminophenyl)propanoate
CID 90765917
2-amino-1-[4-(diethylamino)phenyl]propan-1-one
CID 83971993

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-aminophenyl)-2-[4-(diethylamino)phenyl]acetate?
The IUPAC name of ethyl 2-(4-aminophenyl)-2-[4-(diethylamino)phenyl]acetate (CID 102131623) is ethyl 2-(4-aminophenyl)-2-[4-(diethylamino)phenyl]acetate.
What is the SMILES notation for ethyl 2-(4-aminophenyl)-2-[4-(diethylamino)phenyl]acetate?
The canonical SMILES for ethyl 2-(4-aminophenyl)-2-[4-(diethylamino)phenyl]acetate is CCOC(=O)C(c1ccc(N)cc1)c1ccc(N(CC)CC)cc1.
What is the InChIKey of ethyl 2-(4-aminophenyl)-2-[4-(diethylamino)phenyl]acetate?
The InChIKey is FINMMLOUQFAYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-4-22(5-2)18-13-9-16(10-14-18)19(20(23)24-6-3)15-7-11-17(21)12-8-15/h7-14,19H,4-6,21H2,1-3H3.
What are the key properties of ethyl 2-(4-aminophenyl)-2-[4-(diethylamino)phenyl]acetate?
ethyl 2-(4-aminophenyl)-2-[4-(diethylamino)phenyl]acetate has a molecular weight of 326.44 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-aminophenyl)-2-[4-(diethylamino)phenyl]acetate is sourced from PubChem (CID 102131623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).