[1-(2-amino-4-fluorophenyl)-2-methylpropan-2-yl] carbamate

C11H15FN2O2 — CID 150652983

IUPAC[1-(2-amino-4-fluorophenyl)-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1ccc(F)cc1N)OC(N)=O
InChIInChI=1S/C11H15FN2O2/c1-11(2,16-10(14)15)6-7-3-4-8(12)5-9(7)13/h3-5H,6,13H2,1-2H3,(H2,14,15)
InChIKeyJCGRMQMUTQDEHC-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.82
Rot. Bonds3

About [1-(2-amino-4-fluorophenyl)-2-methylpropan-2-yl] carbamate

[1-(2-amino-4-fluorophenyl)-2-methylpropan-2-yl] carbamate (PubChem CID 150652983) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is [1-(2-amino-4-fluorophenyl)-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-(2-amino-4-fluorophenyl)-2-methylpropan-2-yl] carbamate
PubChem CID150652983
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name[1-(2-amino-4-fluorophenyl)-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1ccc(F)cc1N)OC(N)=O
InChIInChI=1S/C11H15FN2O2/c1-11(2,16-10(14)15)6-7-3-4-8(12)5-9(7)13/h3-5H,6,13H2,1-2H3,(H2,14,15)
InChIKeyJCGRMQMUTQDEHC-UHFFFAOYSA-N
XLogP1.82
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-4-fluorophenyl)-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-(2-amino-4-fluorophenyl)-2-methylpropan-2-yl] carbamate (CID 150652983) is [1-(2-amino-4-fluorophenyl)-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-(2-amino-4-fluorophenyl)-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-(2-amino-4-fluorophenyl)-2-methylpropan-2-yl] carbamate is CC(C)(Cc1ccc(F)cc1N)OC(N)=O.
What is the InChIKey of [1-(2-amino-4-fluorophenyl)-2-methylpropan-2-yl] carbamate?
The InChIKey is JCGRMQMUTQDEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-11(2,16-10(14)15)6-7-3-4-8(12)5-9(7)13/h3-5H,6,13H2,1-2H3,(H2,14,15).
What are the key properties of [1-(2-amino-4-fluorophenyl)-2-methylpropan-2-yl] carbamate?
[1-(2-amino-4-fluorophenyl)-2-methylpropan-2-yl] carbamate has a molecular weight of 226.25 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-4-fluorophenyl)-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 150652983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).