[2-[amino(methyl)amino]-6-fluorophenyl]methanol

C8H11FN2O — CID 144830729

IUPAC[2-[amino(methyl)amino]-6-fluorophenyl]methanol
SMILESCN(N)c1cccc(F)c1CO
InChIInChI=1S/C8H11FN2O/c1-11(10)8-4-2-3-7(9)6(8)5-12/h2-4,12H,5,10H2,1H3
InChIKeyQMZDRKZDKONEMN-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.63
Rot. Bonds2

About [2-[amino(methyl)amino]-6-fluorophenyl]methanol

[2-[amino(methyl)amino]-6-fluorophenyl]methanol (PubChem CID 144830729) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is [2-[amino(methyl)amino]-6-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-[amino(methyl)amino]-6-fluorophenyl]methanol
PubChem CID144830729
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name[2-[amino(methyl)amino]-6-fluorophenyl]methanol
SMILESCN(N)c1cccc(F)c1CO
InChIInChI=1S/C8H11FN2O/c1-11(10)8-4-2-3-7(9)6(8)5-12/h2-4,12H,5,10H2,1H3
InChIKeyQMZDRKZDKONEMN-UHFFFAOYSA-N
XLogP0.63
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 [2-[amino(methyl)amino]-6-fluorophenyl]methanol?
The IUPAC name of [2-[amino(methyl)amino]-6-fluorophenyl]methanol (CID 144830729) is [2-[amino(methyl)amino]-6-fluorophenyl]methanol.
What is the SMILES notation for [2-[amino(methyl)amino]-6-fluorophenyl]methanol?
The canonical SMILES for [2-[amino(methyl)amino]-6-fluorophenyl]methanol is CN(N)c1cccc(F)c1CO.
What is the InChIKey of [2-[amino(methyl)amino]-6-fluorophenyl]methanol?
The InChIKey is QMZDRKZDKONEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-11(10)8-4-2-3-7(9)6(8)5-12/h2-4,12H,5,10H2,1H3.
What are the key properties of [2-[amino(methyl)amino]-6-fluorophenyl]methanol?
[2-[amino(methyl)amino]-6-fluorophenyl]methanol has a molecular weight of 170.19 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[amino(methyl)amino]-6-fluorophenyl]methanol is sourced from PubChem (CID 144830729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).