2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]ethanol

C13H19FN2O — CID 54879393

IUPAC2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]ethanol
SMILESCN(CCO)c1ccc(CNC2CC2)cc1F
InChIInChI=1S/C13H19FN2O/c1-16(6-7-17)13-5-2-10(8-12(13)14)9-15-11-3-4-11/h2,5,8,11,15,17H,3-4,6-7,9H2,1H3
InChIKeyGKJAEMPLKPGDAT-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.51
Rot. Bonds6

About 2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]ethanol

2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]ethanol (PubChem CID 54879393) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]ethanol.

Molecular Properties

Compound Name2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]ethanol
PubChem CID54879393
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]ethanol
SMILESCN(CCO)c1ccc(CNC2CC2)cc1F
InChIInChI=1S/C13H19FN2O/c1-16(6-7-17)13-5-2-10(8-12(13)14)9-15-11-3-4-11/h2,5,8,11,15,17H,3-4,6-7,9H2,1H3
InChIKeyGKJAEMPLKPGDAT-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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Related Compounds

2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-propan-2-ylanilino]ethanol
CID 54994819
2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-propylanilino]ethanol
CID 61424894
2-[N-cyclopropyl-4-[(cyclopropylamino)methyl]-2-fluoroanilino]ethanol
CID 54995451
4-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-fluoro-N-methylaniline
CID 81057755
2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]propan-1-ol
CID 113426115
2-[4-[(cyclopropylamino)methyl]-N-methylanilino]ethanol
CID 60657574
2-[2-fluoro-N-methyl-4-(propylaminomethyl)anilino]ethanol
CID 54879383
4-[(cyclopropylamino)methyl]-2-fluoro-N-(furan-2-ylmethyl)-N-methylaniline
CID 43527118
2-[4-(aminomethyl)-2-fluoro-N-methylanilino]ethanol
CID 60960608
[4-[(cyclopropylamino)methyl]-2-fluorophenyl]boronic acid
CID 56776658
4-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethyl-2-fluoroaniline
CID 63957048
2-[5-bromo-2-[(cyclopropylamino)methyl]-N-methylanilino]ethanol
CID 54879396

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]ethanol?
The IUPAC name of 2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]ethanol (CID 54879393) is 2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]ethanol.
What is the SMILES notation for 2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]ethanol?
The canonical SMILES for 2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]ethanol is CN(CCO)c1ccc(CNC2CC2)cc1F.
What is the InChIKey of 2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]ethanol?
The InChIKey is GKJAEMPLKPGDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-16(6-7-17)13-5-2-10(8-12(13)14)9-15-11-3-4-11/h2,5,8,11,15,17H,3-4,6-7,9H2,1H3.
What are the key properties of 2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]ethanol?
2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]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-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]ethanol is sourced from PubChem (CID 54879393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).