[amino-phenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl] acetate

C23H29NO2 — CID 23195096

IUPAC[amino-phenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl] acetate
SMILESCC(=O)OC(N)(c1ccccc1)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H29NO2/c1-16(25)26-23(24,17-9-7-6-8-10-17)18-11-12-19-20(15-18)22(4,5)14-13-21(19,2)3/h6-12,15H,13-14,24H2,1-5H3
InChIKeyAITAXMWNIAWROH-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.76
Rot. Bonds3

About [amino-phenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl] acetate

[amino-phenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl] acetate (PubChem CID 23195096) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is [amino-phenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl] acetate.

Molecular Properties

Compound Name[amino-phenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl] acetate
PubChem CID23195096
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name[amino-phenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl] acetate
SMILESCC(=O)OC(N)(c1ccccc1)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H29NO2/c1-16(25)26-23(24,17-9-7-6-8-10-17)18-11-12-19-20(15-18)22(4,5)14-13-21(19,2)3/h6-12,15H,13-14,24H2,1-5H3
InChIKeyAITAXMWNIAWROH-UHFFFAOYSA-N
XLogP4.76
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [amino-phenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl] acetate?
The IUPAC name of [amino-phenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl] acetate (CID 23195096) is [amino-phenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl] acetate.
What is the SMILES notation for [amino-phenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl] acetate?
The canonical SMILES for [amino-phenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl] acetate is CC(=O)OC(N)(c1ccccc1)c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of [amino-phenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl] acetate?
The InChIKey is AITAXMWNIAWROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-16(25)26-23(24,17-9-7-6-8-10-17)18-11-12-19-20(15-18)22(4,5)14-13-21(19,2)3/h6-12,15H,13-14,24H2,1-5H3.
What are the key properties of [amino-phenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl] acetate?
[amino-phenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl] acetate has a molecular weight of 351.49 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-phenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl] acetate is sourced from PubChem (CID 23195096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).