methyl 2-[amino(methyl)amino]-3-fluoro-6-methylbenzoate

C10H13FN2O2 — CID 135190398

IUPACmethyl 2-[amino(methyl)amino]-3-fluoro-6-methylbenzoate
SMILESCOC(=O)c1c(C)ccc(F)c1N(C)N
InChIInChI=1S/C10H13FN2O2/c1-6-4-5-7(11)9(13(2)12)8(6)10(14)15-3/h4-5H,12H2,1-3H3
InChIKeyLATZZDUCDDMNTO-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.23
Rot. Bonds2

About methyl 2-[amino(methyl)amino]-3-fluoro-6-methylbenzoate

methyl 2-[amino(methyl)amino]-3-fluoro-6-methylbenzoate (PubChem CID 135190398) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is methyl 2-[amino(methyl)amino]-3-fluoro-6-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-[amino(methyl)amino]-3-fluoro-6-methylbenzoate
PubChem CID135190398
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Namemethyl 2-[amino(methyl)amino]-3-fluoro-6-methylbenzoate
SMILESCOC(=O)c1c(C)ccc(F)c1N(C)N
InChIInChI=1S/C10H13FN2O2/c1-6-4-5-7(11)9(13(2)12)8(6)10(14)15-3/h4-5H,12H2,1-3H3
InChIKeyLATZZDUCDDMNTO-UHFFFAOYSA-N
XLogP1.23
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[amino(methyl)amino]-3-fluoro-6-methylbenzoate?
The IUPAC name of methyl 2-[amino(methyl)amino]-3-fluoro-6-methylbenzoate (CID 135190398) is methyl 2-[amino(methyl)amino]-3-fluoro-6-methylbenzoate.
What is the SMILES notation for methyl 2-[amino(methyl)amino]-3-fluoro-6-methylbenzoate?
The canonical SMILES for methyl 2-[amino(methyl)amino]-3-fluoro-6-methylbenzoate is COC(=O)c1c(C)ccc(F)c1N(C)N.
What is the InChIKey of methyl 2-[amino(methyl)amino]-3-fluoro-6-methylbenzoate?
The InChIKey is LATZZDUCDDMNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-6-4-5-7(11)9(13(2)12)8(6)10(14)15-3/h4-5H,12H2,1-3H3.
What are the key properties of methyl 2-[amino(methyl)amino]-3-fluoro-6-methylbenzoate?
methyl 2-[amino(methyl)amino]-3-fluoro-6-methylbenzoate has a molecular weight of 212.22 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[amino(methyl)amino]-3-fluoro-6-methylbenzoate is sourced from PubChem (CID 135190398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).