[(3-phenyl-3H-inden-1-yl)amino] acetate

C17H15NO2 — CID 123171040

IUPAC[(3-phenyl-3H-inden-1-yl)amino] acetate
SMILESCC(=O)ONC1=CC(c2ccccc2)c2ccccc21
InChIInChI=1S/C17H15NO2/c1-12(19)20-18-17-11-16(13-7-3-2-4-8-13)14-9-5-6-10-15(14)17/h2-11,16,18H,1H3
InChIKeyLWPHOUPOYFRWEY-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.24
Rot. Bonds3

About [(3-phenyl-3H-inden-1-yl)amino] acetate

[(3-phenyl-3H-inden-1-yl)amino] acetate (PubChem CID 123171040) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is [(3-phenyl-3H-inden-1-yl)amino] acetate.

Molecular Properties

Compound Name[(3-phenyl-3H-inden-1-yl)amino] acetate
PubChem CID123171040
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name[(3-phenyl-3H-inden-1-yl)amino] acetate
SMILESCC(=O)ONC1=CC(c2ccccc2)c2ccccc21
InChIInChI=1S/C17H15NO2/c1-12(19)20-18-17-11-16(13-7-3-2-4-8-13)14-9-5-6-10-15(14)17/h2-11,16,18H,1H3
InChIKeyLWPHOUPOYFRWEY-UHFFFAOYSA-N
XLogP3.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-acetoxy-1,1'-biphenyl-4-amine
CID 189661
[[2-(2-Methylphenyl)phenyl]methylamino] 2,2,2-trifluoroacetate
CID 87703939
N-acetoxyaminobiphenyl
CID 85882576
Dioxazolylstilbene
CID 129790341
(9H-fluoren-9-ylamino) acetate
CID 12482309
(Benzhydrylamino) acetate
CID 12482318
(3H-inden-1-ylamino) acetate
CID 57202391
[(1-Cyclohexylidene-2-phenylethyl)amino] acetate
CID 57203425
3-(2-Methyl-6-phenylphenyl)-2,5-dihydro-1,2-oxazole
CID 57223918
3-(Naphthalen-1-yl)-1,2-oxazol-5-ol
CID 75359328
N-methoxy-1-[4-(2-methylphenyl)phenyl]ethenamine
CID 123151526
(1H-cyclopenta[a]naphthalen-3-ylamino) acetate
CID 123175122

Frequently Asked Questions

What is the IUPAC name of [(3-phenyl-3H-inden-1-yl)amino] acetate?
The IUPAC name of [(3-phenyl-3H-inden-1-yl)amino] acetate (CID 123171040) is [(3-phenyl-3H-inden-1-yl)amino] acetate.
What is the SMILES notation for [(3-phenyl-3H-inden-1-yl)amino] acetate?
The canonical SMILES for [(3-phenyl-3H-inden-1-yl)amino] acetate is CC(=O)ONC1=CC(c2ccccc2)c2ccccc21.
What is the InChIKey of [(3-phenyl-3H-inden-1-yl)amino] acetate?
The InChIKey is LWPHOUPOYFRWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-12(19)20-18-17-11-16(13-7-3-2-4-8-13)14-9-5-6-10-15(14)17/h2-11,16,18H,1H3.
What are the key properties of [(3-phenyl-3H-inden-1-yl)amino] acetate?
[(3-phenyl-3H-inden-1-yl)amino] acetate has a molecular weight of 265.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-phenyl-3H-inden-1-yl)amino] acetate is sourced from PubChem (CID 123171040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).