[6-[amino(methyl)amino]-2-ethenyl-3-fluorophenyl]methanol

C10H13FN2O — CID 144830615

IUPAC[6-[amino(methyl)amino]-2-ethenyl-3-fluorophenyl]methanol
SMILESC=Cc1c(F)ccc(N(C)N)c1CO
InChIInChI=1S/C10H13FN2O/c1-3-7-8(6-14)10(13(2)12)5-4-9(7)11/h3-5,14H,1,6,12H2,2H3
InChIKeyBLIVPFDQGTVSHA-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.27
Rot. Bonds3

About [6-[amino(methyl)amino]-2-ethenyl-3-fluorophenyl]methanol

[6-[amino(methyl)amino]-2-ethenyl-3-fluorophenyl]methanol (PubChem CID 144830615) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is [6-[amino(methyl)amino]-2-ethenyl-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[6-[amino(methyl)amino]-2-ethenyl-3-fluorophenyl]methanol
PubChem CID144830615
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name[6-[amino(methyl)amino]-2-ethenyl-3-fluorophenyl]methanol
SMILESC=Cc1c(F)ccc(N(C)N)c1CO
InChIInChI=1S/C10H13FN2O/c1-3-7-8(6-14)10(13(2)12)5-4-9(7)11/h3-5,14H,1,6,12H2,2H3
InChIKeyBLIVPFDQGTVSHA-UHFFFAOYSA-N
XLogP1.27
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.27
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 [6-[amino(methyl)amino]-2-ethenyl-3-fluorophenyl]methanol?
The IUPAC name of [6-[amino(methyl)amino]-2-ethenyl-3-fluorophenyl]methanol (CID 144830615) is [6-[amino(methyl)amino]-2-ethenyl-3-fluorophenyl]methanol.
What is the SMILES notation for [6-[amino(methyl)amino]-2-ethenyl-3-fluorophenyl]methanol?
The canonical SMILES for [6-[amino(methyl)amino]-2-ethenyl-3-fluorophenyl]methanol is C=Cc1c(F)ccc(N(C)N)c1CO.
What is the InChIKey of [6-[amino(methyl)amino]-2-ethenyl-3-fluorophenyl]methanol?
The InChIKey is BLIVPFDQGTVSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-3-7-8(6-14)10(13(2)12)5-4-9(7)11/h3-5,14H,1,6,12H2,2H3.
What are the key properties of [6-[amino(methyl)amino]-2-ethenyl-3-fluorophenyl]methanol?
[6-[amino(methyl)amino]-2-ethenyl-3-fluorophenyl]methanol has a molecular weight of 196.22 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[amino(methyl)amino]-2-ethenyl-3-fluorophenyl]methanol is sourced from PubChem (CID 144830615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).