2-[N-cyclopropyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol

C13H19FN2O — CID 54995402

IUPAC2-[N-cyclopropyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol
SMILESCNCc1ccc(N(CCO)C2CC2)c(F)c1
InChIInChI=1S/C13H19FN2O/c1-15-9-10-2-5-13(12(14)8-10)16(6-7-17)11-3-4-11/h2,5,8,11,15,17H,3-4,6-7,9H2,1H3
InChIKeyNFHKXEDPIZYWEJ-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.51
Rot. Bonds6

About 2-[N-cyclopropyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol

2-[N-cyclopropyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol (PubChem CID 54995402) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-[N-cyclopropyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[N-cyclopropyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol
PubChem CID54995402
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-[N-cyclopropyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol
SMILESCNCc1ccc(N(CCO)C2CC2)c(F)c1
InChIInChI=1S/C13H19FN2O/c1-15-9-10-2-5-13(12(14)8-10)16(6-7-17)11-3-4-11/h2,5,8,11,15,17H,3-4,6-7,9H2,1H3
InChIKeyNFHKXEDPIZYWEJ-UHFFFAOYSA-N
XLogP1.51
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[N-cyclopropyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol?
The IUPAC name of 2-[N-cyclopropyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol (CID 54995402) is 2-[N-cyclopropyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol.
What is the SMILES notation for 2-[N-cyclopropyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol?
The canonical SMILES for 2-[N-cyclopropyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol is CNCc1ccc(N(CCO)C2CC2)c(F)c1.
What is the InChIKey of 2-[N-cyclopropyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol?
The InChIKey is NFHKXEDPIZYWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-15-9-10-2-5-13(12(14)8-10)16(6-7-17)11-3-4-11/h2,5,8,11,15,17H,3-4,6-7,9H2,1H3.
What are the key properties of 2-[N-cyclopropyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol?
2-[N-cyclopropyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol has a molecular weight of 238.31 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-cyclopropyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol is sourced from PubChem (CID 54995402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).