2-[amino(methyl)amino]-1-(4-fluorophenyl)ethanol

C9H13FN2O — CID 46929632

IUPAC2-[amino(methyl)amino]-1-(4-fluorophenyl)ethanol
SMILESCN(N)CC(O)c1ccc(F)cc1
InChIInChI=1S/C9H13FN2O/c1-12(11)6-9(13)7-2-4-8(10)5-3-7/h2-5,9,13H,6,11H2,1H3
InChIKeyIFUPYFVHWBWYTO-UHFFFAOYSA-N
MW184.21 g/mol
LogP0.66
Rot. Bonds3

About 2-[amino(methyl)amino]-1-(4-fluorophenyl)ethanol

2-[amino(methyl)amino]-1-(4-fluorophenyl)ethanol (PubChem CID 46929632) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 2-[amino(methyl)amino]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[amino(methyl)amino]-1-(4-fluorophenyl)ethanol
PubChem CID46929632
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name2-[amino(methyl)amino]-1-(4-fluorophenyl)ethanol
SMILESCN(N)CC(O)c1ccc(F)cc1
InChIInChI=1S/C9H13FN2O/c1-12(11)6-9(13)7-2-4-8(10)5-3-7/h2-5,9,13H,6,11H2,1H3
InChIKeyIFUPYFVHWBWYTO-UHFFFAOYSA-N
XLogP0.66
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 50.66
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]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[amino(methyl)amino]-1-(4-fluorophenyl)ethanol (CID 46929632) is 2-[amino(methyl)amino]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[amino(methyl)amino]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[amino(methyl)amino]-1-(4-fluorophenyl)ethanol is CN(N)CC(O)c1ccc(F)cc1.
What is the InChIKey of 2-[amino(methyl)amino]-1-(4-fluorophenyl)ethanol?
The InChIKey is IFUPYFVHWBWYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-12(11)6-9(13)7-2-4-8(10)5-3-7/h2-5,9,13H,6,11H2,1H3.
What are the key properties of 2-[amino(methyl)amino]-1-(4-fluorophenyl)ethanol?
2-[amino(methyl)amino]-1-(4-fluorophenyl)ethanol has a molecular weight of 184.21 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(methyl)amino]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 46929632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).