9H-fluoren-9-ylmethyl N-[(4-aminophenyl)methyl]carbamate

C22H20N2O2 — CID 24747814

IUPAC9H-fluoren-9-ylmethyl N-[(4-aminophenyl)methyl]carbamate
SMILESNc1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C22H20N2O2/c23-16-11-9-15(10-12-16)13-24-22(25)26-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21H,13-14,23H2,(H,24,25)
InChIKeyZJXNVHARJJXJOW-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.31
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-[(4-aminophenyl)methyl]carbamate

9H-fluoren-9-ylmethyl N-[(4-aminophenyl)methyl]carbamate (PubChem CID 24747814) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(4-aminophenyl)methyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(4-aminophenyl)methyl]carbamate
PubChem CID24747814
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name9H-fluoren-9-ylmethyl N-[(4-aminophenyl)methyl]carbamate
SMILESNc1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C22H20N2O2/c23-16-11-9-15(10-12-16)13-24-22(25)26-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21H,13-14,23H2,(H,24,25)
InChIKeyZJXNVHARJJXJOW-UHFFFAOYSA-N
XLogP4.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 9H-fluoren-9-ylmethyl N-[(4-aminophenyl)methyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(4-aminophenyl)methyl]carbamate (CID 24747814) is 9H-fluoren-9-ylmethyl N-[(4-aminophenyl)methyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(4-aminophenyl)methyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(4-aminophenyl)methyl]carbamate is Nc1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(4-aminophenyl)methyl]carbamate?
The InChIKey is ZJXNVHARJJXJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c23-16-11-9-15(10-12-16)13-24-22(25)26-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21H,13-14,23H2,(H,24,25).
What are the key properties of 9H-fluoren-9-ylmethyl N-[(4-aminophenyl)methyl]carbamate?
9H-fluoren-9-ylmethyl N-[(4-aminophenyl)methyl]carbamate has a molecular weight of 344.41 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(4-aminophenyl)methyl]carbamate is sourced from PubChem (CID 24747814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).