methyl N-[(2-amino-6-fluorophenyl)methyl]-N-methylcarbamate

C10H13FN2O2 — CID 174534001

IUPACmethyl N-[(2-amino-6-fluorophenyl)methyl]-N-methylcarbamate
SMILESCOC(=O)N(C)Cc1c(N)cccc1F
InChIInChI=1S/C10H13FN2O2/c1-13(10(14)15-2)6-7-8(11)4-3-5-9(7)12/h3-5H,6,12H2,1-2H3
InChIKeyILLMJUSSMDJWAK-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.61
Rot. Bonds2

About methyl N-[(2-amino-6-fluorophenyl)methyl]-N-methylcarbamate

methyl N-[(2-amino-6-fluorophenyl)methyl]-N-methylcarbamate (PubChem CID 174534001) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is methyl N-[(2-amino-6-fluorophenyl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[(2-amino-6-fluorophenyl)methyl]-N-methylcarbamate
PubChem CID174534001
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Namemethyl N-[(2-amino-6-fluorophenyl)methyl]-N-methylcarbamate
SMILESCOC(=O)N(C)Cc1c(N)cccc1F
InChIInChI=1S/C10H13FN2O2/c1-13(10(14)15-2)6-7-8(11)4-3-5-9(7)12/h3-5H,6,12H2,1-2H3
InChIKeyILLMJUSSMDJWAK-UHFFFAOYSA-N
XLogP1.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
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 methyl N-[(2-amino-6-fluorophenyl)methyl]-N-methylcarbamate?
The IUPAC name of methyl N-[(2-amino-6-fluorophenyl)methyl]-N-methylcarbamate (CID 174534001) is methyl N-[(2-amino-6-fluorophenyl)methyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[(2-amino-6-fluorophenyl)methyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[(2-amino-6-fluorophenyl)methyl]-N-methylcarbamate is COC(=O)N(C)Cc1c(N)cccc1F.
What is the InChIKey of methyl N-[(2-amino-6-fluorophenyl)methyl]-N-methylcarbamate?
The InChIKey is ILLMJUSSMDJWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-13(10(14)15-2)6-7-8(11)4-3-5-9(7)12/h3-5H,6,12H2,1-2H3.
What are the key properties of methyl N-[(2-amino-6-fluorophenyl)methyl]-N-methylcarbamate?
methyl N-[(2-amino-6-fluorophenyl)methyl]-N-methylcarbamate has a molecular weight of 212.22 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2-amino-6-fluorophenyl)methyl]-N-methylcarbamate is sourced from PubChem (CID 174534001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).