9H-fluoren-9-yl 4-amino-3-methylbenzoate

C21H17NO2 — CID 91682868

IUPAC9H-fluoren-9-yl 4-amino-3-methylbenzoate
SMILESCc1cc(C(=O)OC2c3ccccc3-c3ccccc32)ccc1N
InChIInChI=1S/C21H17NO2/c1-13-12-14(10-11-19(13)22)21(23)24-20-17-8-4-2-6-15(17)16-7-3-5-9-18(16)20/h2-12,20H,22H2,1H3
InChIKeyVMHLQLIDCOQTSR-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.50
Rot. Bonds2

About 9H-fluoren-9-yl 4-amino-3-methylbenzoate

9H-fluoren-9-yl 4-amino-3-methylbenzoate (PubChem CID 91682868) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 9H-fluoren-9-yl 4-amino-3-methylbenzoate.

Molecular Properties

Compound Name9H-fluoren-9-yl 4-amino-3-methylbenzoate
PubChem CID91682868
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name9H-fluoren-9-yl 4-amino-3-methylbenzoate
SMILESCc1cc(C(=O)OC2c3ccccc3-c3ccccc32)ccc1N
InChIInChI=1S/C21H17NO2/c1-13-12-14(10-11-19(13)22)21(23)24-20-17-8-4-2-6-15(17)16-7-3-5-9-18(16)20/h2-12,20H,22H2,1H3
InChIKeyVMHLQLIDCOQTSR-UHFFFAOYSA-N
XLogP4.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-methylcyclohexyl) 4-amino-3-methylbenzoate
CID 61277831
9H-fluoren-9-yl 4-(hydroxymethyl)benzoate
CID 8524888
9H-fluoren-9-yl 2,5-dimethylthiophene-3-carboxylate
CID 7648640
9H-fluoren-9-yl 3-ethoxy-4-propoxybenzoate
CID 7908802
(4-amino-3-methylphenyl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
CID 66395210
1-benzothiophen-3-ylmethyl 4-amino-3-methylbenzoate
CID 63737772
9H-fluoren-9-yl N-amino-N-methylcarbamate
CID 100991208
methyl 9-(difluoromethoxy)-9H-fluorene-3-carboxylate
CID 169197506
9H-fluoren-9-yl 5-bromo-2-hydroxybenzoate
CID 7786361
(4-amino-3-methylphenyl)-(4-phenylphenyl)methanone
CID 91678510
2-cyclobutylethyl 4-amino-3-methylbenzoate
CID 106203085
4-methylpentan-2-yl 4-amino-3-methylbenzoate
CID 61278819

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl 4-amino-3-methylbenzoate?
The IUPAC name of 9H-fluoren-9-yl 4-amino-3-methylbenzoate (CID 91682868) is 9H-fluoren-9-yl 4-amino-3-methylbenzoate.
What is the SMILES notation for 9H-fluoren-9-yl 4-amino-3-methylbenzoate?
The canonical SMILES for 9H-fluoren-9-yl 4-amino-3-methylbenzoate is Cc1cc(C(=O)OC2c3ccccc3-c3ccccc32)ccc1N.
What is the InChIKey of 9H-fluoren-9-yl 4-amino-3-methylbenzoate?
The InChIKey is VMHLQLIDCOQTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c1-13-12-14(10-11-19(13)22)21(23)24-20-17-8-4-2-6-15(17)16-7-3-5-9-18(16)20/h2-12,20H,22H2,1H3.
What are the key properties of 9H-fluoren-9-yl 4-amino-3-methylbenzoate?
9H-fluoren-9-yl 4-amino-3-methylbenzoate has a molecular weight of 315.37 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl 4-amino-3-methylbenzoate is sourced from PubChem (CID 91682868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).