ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylamino]benzoate

C24H31NO2 — CID 10959476

IUPACethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylamino]benzoate
SMILESCCOC(=O)c1ccc(NCc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C24H31NO2/c1-6-27-22(26)18-8-10-19(11-9-18)25-16-17-7-12-20-21(15-17)24(4,5)14-13-23(20,2)3/h7-12,15,25H,6,13-14,16H2,1-5H3
InChIKeyVGFRPIWWQKLAFV-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.82
Rot. Bonds5

About ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylamino]benzoate

ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylamino]benzoate (PubChem CID 10959476) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylamino]benzoate
PubChem CID10959476
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Nameethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylamino]benzoate
SMILESCCOC(=O)c1ccc(NCc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C24H31NO2/c1-6-27-22(26)18-8-10-19(11-9-18)25-16-17-7-12-20-21(15-17)24(4,5)14-13-23(20,2)3/h7-12,15,25H,6,13-14,16H2,1-5H3
InChIKeyVGFRPIWWQKLAFV-UHFFFAOYSA-N
XLogP5.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylamino]benzoate with MolForge

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Related Compounds

ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate
CID 3086620
ethyl 4-sulfooxybenzoate;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene
CID 22908098
propyl 4-[(3-methylphenyl)methylamino]benzoate
CID 43217485
2-[4-(butanoylamino)phenyl]ethyl 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylate
CID 59224486
ethyl 4-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)selanyl]ethynyl]benzoate
CID 15411447
ethyl 4-[(1-methylpyrrol-3-yl)methylamino]benzoate
CID 66397874
ethyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzoate
CID 18357939
2-[4-(propylcarbamoylamino)phenyl]ethyl 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylate
CID 24883342
2-[4-(pentanoylamino)phenyl]ethyl 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylate
CID 59224480
2-[4-(benzylcarbamoylamino)phenyl]ethyl 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylate
CID 59224543
ethyl 4-[4-(4-hydroxybutoxy)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]benzoate
CID 66660890
ethyl 4-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]benzoate
CID 66525561

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylamino]benzoate?
The IUPAC name of ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylamino]benzoate (CID 10959476) is ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylamino]benzoate.
What is the SMILES notation for ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylamino]benzoate?
The canonical SMILES for ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylamino]benzoate is CCOC(=O)c1ccc(NCc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1.
What is the InChIKey of ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylamino]benzoate?
The InChIKey is VGFRPIWWQKLAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-6-27-22(26)18-8-10-19(11-9-18)25-16-17-7-12-20-21(15-17)24(4,5)14-13-23(20,2)3/h7-12,15,25H,6,13-14,16H2,1-5H3.
What are the key properties of ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylamino]benzoate?
ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylamino]benzoate has a molecular weight of 365.52 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylamino]benzoate is sourced from PubChem (CID 10959476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).