ethyl 4-(4-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylate

C19H21NO2 — CID 53238351

IUPACethyl 4-(4-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylate
SMILESCCOC(=O)C1CCC(c2ccc(N)cc2)c2ccccc21
InChIInChI=1S/C19H21NO2/c1-2-22-19(21)18-12-11-15(13-7-9-14(20)10-8-13)16-5-3-4-6-17(16)18/h3-10,15,18H,2,11-12,20H2,1H3
InChIKeySMCOHZPQPQVAOF-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.84
Rot. Bonds3

About ethyl 4-(4-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylate

ethyl 4-(4-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylate (PubChem CID 53238351) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is ethyl 4-(4-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylate
PubChem CID53238351
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Nameethyl 4-(4-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylate
SMILESCCOC(=O)C1CCC(c2ccc(N)cc2)c2ccccc21
InChIInChI=1S/C19H21NO2/c1-2-22-19(21)18-12-11-15(13-7-9-14(20)10-8-13)16-5-3-4-6-17(16)18/h3-10,15,18H,2,11-12,20H2,1H3
InChIKeySMCOHZPQPQVAOF-UHFFFAOYSA-N
XLogP3.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The IUPAC name of ethyl 4-(4-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylate (CID 53238351) is ethyl 4-(4-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The canonical SMILES for ethyl 4-(4-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylate is CCOC(=O)C1CCC(c2ccc(N)cc2)c2ccccc21.
What is the InChIKey of ethyl 4-(4-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The InChIKey is SMCOHZPQPQVAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-2-22-19(21)18-12-11-15(13-7-9-14(20)10-8-13)16-5-3-4-6-17(16)18/h3-10,15,18H,2,11-12,20H2,1H3.
What are the key properties of ethyl 4-(4-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
ethyl 4-(4-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylate is sourced from PubChem (CID 53238351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).