methyl 2-[4-amino-N-(9H-fluoren-9-yl)anilino]acetate

C22H20N2O2 — CID 70247377

IUPACmethyl 2-[4-amino-N-(9H-fluoren-9-yl)anilino]acetate
SMILESCOC(=O)CN(c1ccc(N)cc1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H20N2O2/c1-26-21(25)14-24(16-12-10-15(23)11-13-16)22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-13,22H,14,23H2,1H3
InChIKeyZILHAXPTZZRPET-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.02
Rot. Bonds4

About methyl 2-[4-amino-N-(9H-fluoren-9-yl)anilino]acetate

methyl 2-[4-amino-N-(9H-fluoren-9-yl)anilino]acetate (PubChem CID 70247377) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is methyl 2-[4-amino-N-(9H-fluoren-9-yl)anilino]acetate.

Molecular Properties

Compound Namemethyl 2-[4-amino-N-(9H-fluoren-9-yl)anilino]acetate
PubChem CID70247377
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Namemethyl 2-[4-amino-N-(9H-fluoren-9-yl)anilino]acetate
SMILESCOC(=O)CN(c1ccc(N)cc1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H20N2O2/c1-26-21(25)14-24(16-12-10-15(23)11-13-16)22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-13,22H,14,23H2,1H3
InChIKeyZILHAXPTZZRPET-UHFFFAOYSA-N
XLogP4.02
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-amino-N-(9H-fluoren-9-yl)anilino]acetate?
The IUPAC name of methyl 2-[4-amino-N-(9H-fluoren-9-yl)anilino]acetate (CID 70247377) is methyl 2-[4-amino-N-(9H-fluoren-9-yl)anilino]acetate.
What is the SMILES notation for methyl 2-[4-amino-N-(9H-fluoren-9-yl)anilino]acetate?
The canonical SMILES for methyl 2-[4-amino-N-(9H-fluoren-9-yl)anilino]acetate is COC(=O)CN(c1ccc(N)cc1)C1c2ccccc2-c2ccccc21.
What is the InChIKey of methyl 2-[4-amino-N-(9H-fluoren-9-yl)anilino]acetate?
The InChIKey is ZILHAXPTZZRPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-26-21(25)14-24(16-12-10-15(23)11-13-16)22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-13,22H,14,23H2,1H3.
What are the key properties of methyl 2-[4-amino-N-(9H-fluoren-9-yl)anilino]acetate?
methyl 2-[4-amino-N-(9H-fluoren-9-yl)anilino]acetate has a molecular weight of 344.41 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-amino-N-(9H-fluoren-9-yl)anilino]acetate is sourced from PubChem (CID 70247377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).