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

C17H19FN2O2 — CID 150209228

IUPAC[1-[2-amino-4-(4-fluorophenyl)phenyl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1ccc(-c2ccc(F)cc2)cc1N)OC(N)=O
InChIInChI=1S/C17H19FN2O2/c1-17(2,22-16(20)21)10-13-4-3-12(9-15(13)19)11-5-7-14(18)8-6-11/h3-9H,10,19H2,1-2H3,(H2,20,21)
InChIKeyFRCZQUFBYNYGRA-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.49
Rot. Bonds4

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

[1-[2-amino-4-(4-fluorophenyl)phenyl]-2-methylpropan-2-yl] carbamate (PubChem CID 150209228) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is [1-[2-amino-4-(4-fluorophenyl)phenyl]-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[2-amino-4-(4-fluorophenyl)phenyl]-2-methylpropan-2-yl] carbamate
PubChem CID150209228
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name[1-[2-amino-4-(4-fluorophenyl)phenyl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1ccc(-c2ccc(F)cc2)cc1N)OC(N)=O
InChIInChI=1S/C17H19FN2O2/c1-17(2,22-16(20)21)10-13-4-3-12(9-15(13)19)11-5-7-14(18)8-6-11/h3-9H,10,19H2,1-2H3,(H2,20,21)
InChIKeyFRCZQUFBYNYGRA-UHFFFAOYSA-N
XLogP3.49
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.49
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-(4-fluorophenyl)phenyl]-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-[2-amino-4-(4-fluorophenyl)phenyl]-2-methylpropan-2-yl] carbamate (CID 150209228) is [1-[2-amino-4-(4-fluorophenyl)phenyl]-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[2-amino-4-(4-fluorophenyl)phenyl]-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-[2-amino-4-(4-fluorophenyl)phenyl]-2-methylpropan-2-yl] carbamate is CC(C)(Cc1ccc(-c2ccc(F)cc2)cc1N)OC(N)=O.
What is the InChIKey of [1-[2-amino-4-(4-fluorophenyl)phenyl]-2-methylpropan-2-yl] carbamate?
The InChIKey is FRCZQUFBYNYGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-17(2,22-16(20)21)10-13-4-3-12(9-15(13)19)11-5-7-14(18)8-6-11/h3-9H,10,19H2,1-2H3,(H2,20,21).
What are the key properties of [1-[2-amino-4-(4-fluorophenyl)phenyl]-2-methylpropan-2-yl] carbamate?
[1-[2-amino-4-(4-fluorophenyl)phenyl]-2-methylpropan-2-yl] carbamate has a molecular weight of 302.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-amino-4-(4-fluorophenyl)phenyl]-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 150209228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).