tert-butyl N-(2-amino-6-fluorophenyl)carbamate

C11H15FN2O2 — CID 10082408

IUPACtert-butyl N-(2-amino-6-fluorophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1c(N)cccc1F
InChIInChI=1S/C11H15FN2O2/c1-11(2,3)16-10(15)14-9-7(12)5-4-6-8(9)13/h4-6H,13H2,1-3H3,(H,14,15)
InChIKeyKKTBITIKAFIQJM-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.75
Rot. Bonds1

About tert-butyl N-(2-amino-6-fluorophenyl)carbamate

tert-butyl N-(2-amino-6-fluorophenyl)carbamate (PubChem CID 10082408) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is tert-butyl N-(2-amino-6-fluorophenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-amino-6-fluorophenyl)carbamate
PubChem CID10082408
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Nametert-butyl N-(2-amino-6-fluorophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1c(N)cccc1F
InChIInChI=1S/C11H15FN2O2/c1-11(2,3)16-10(15)14-9-7(12)5-4-6-8(9)13/h4-6H,13H2,1-3H3,(H,14,15)
InChIKeyKKTBITIKAFIQJM-UHFFFAOYSA-N
XLogP2.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(3-amino-6-fluoro-2-hydroxyphenyl)carbamate
CID 135394494
tert-butyl N-(2-ethyl-6-fluorophenyl)carbamate
CID 153485690
[3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]boronic acid
CID 142785528
tert-butyl N-[2-fluoro-6-(2-methylpropanoyl)phenyl]carbamate
CID 11242993
methyl 3-[3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]propanoate
CID 175150154
tert-butyl N-(3,6-difluoro-2-formylphenyl)carbamate
CID 118996744
tert-butyl N-(3-amino-2-chlorophenyl)carbamate
CID 130506591
tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate
CID 121232357
tert-butyl N-[2-[(2,6-difluorophenyl)carbamothioylamino]ethyl]carbamate
CID 84554082
tert-butyl N-[4-amino-2-(trifluoromethyl)-3-pyridinyl]carbamate
CID 118902581
tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 24700779
N-(2-amino-6-fluorophenyl)-2-methylbutanamide
CID 81314159

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-amino-6-fluorophenyl)carbamate?
The IUPAC name of tert-butyl N-(2-amino-6-fluorophenyl)carbamate (CID 10082408) is tert-butyl N-(2-amino-6-fluorophenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-amino-6-fluorophenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-amino-6-fluorophenyl)carbamate is CC(C)(C)OC(=O)Nc1c(N)cccc1F.
What is the InChIKey of tert-butyl N-(2-amino-6-fluorophenyl)carbamate?
The InChIKey is KKTBITIKAFIQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-11(2,3)16-10(15)14-9-7(12)5-4-6-8(9)13/h4-6H,13H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-(2-amino-6-fluorophenyl)carbamate?
tert-butyl N-(2-amino-6-fluorophenyl)carbamate has a molecular weight of 226.25 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-amino-6-fluorophenyl)carbamate is sourced from PubChem (CID 10082408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).