9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate

C21H18N2O2 — CID 11450338

IUPAC9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate
SMILESNc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C21H18N2O2/c22-14-9-11-15(12-10-14)23-21(24)25-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20H,13,22H2,(H,23,24)
InChIKeyALQJHOXOLDYSLS-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.63
Rot. Bonds3

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

9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate (PubChem CID 11450338) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate
PubChem CID11450338
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate
SMILESNc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C21H18N2O2/c22-14-9-11-15(12-10-14)23-21(24)25-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20H,13,22H2,(H,23,24)
InChIKeyALQJHOXOLDYSLS-UHFFFAOYSA-N
XLogP4.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.63
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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Related Compounds

9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate
CID 12841540
9H-fluoren-9-ylmethyl N-(4-nitrophenyl)carbamate
CID 14482307
9H-fluoren-9-ylmethyl N-[4-(1-aminocyclopropyl)phenyl]carbamate
CID 175653920
9H-fluoren-9-ylmethyl N-[3-amino-5-(hydroxymethyl)phenyl]carbamate
CID 130985765
9H-fluoren-9-ylmethyl N-(5-amino-2-hydroxyphenyl)carbamate
CID 130987687
9H-fluoren-9-ylmethyl N-[4-(cyclohexylcarbamoylamino)phenyl]carbamate
CID 45112398
9H-fluoren-9-ylmethyl N-[4-(tert-butylcarbamoyl)phenyl]carbamate
CID 90337303
9H-fluoren-9-ylmethyl N-[4-[(E)-2-cyanoethenyl]phenyl]carbamate
CID 148733041
9H-fluoren-9-ylmethyl N-[4-[(2-methylpropan-2-yl)oxycarbamoyl]phenyl]carbamate
CID 141231011
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347
benzyl N-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]carbamate
CID 141445074

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate (CID 11450338) is 9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate is Nc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate?
The InChIKey is ALQJHOXOLDYSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c22-14-9-11-15(12-10-14)23-21(24)25-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20H,13,22H2,(H,23,24).
What are the key properties of 9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate?
9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate has a molecular weight of 330.39 g/mol, XLogP of 4.63, 3 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)carbamate is sourced from PubChem (CID 11450338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).