2-[N-cyclopropyl-4-[(cyclopropylamino)methyl]-2-fluoroanilino]ethanol

C15H21FN2O — CID 54995451

IUPAC2-[N-cyclopropyl-4-[(cyclopropylamino)methyl]-2-fluoroanilino]ethanol
SMILESOCCN(c1ccc(CNC2CC2)cc1F)C1CC1
InChIInChI=1S/C15H21FN2O/c16-14-9-11(10-17-12-2-3-12)1-6-15(14)18(7-8-19)13-4-5-13/h1,6,9,12-13,17,19H,2-5,7-8,10H2
InChIKeyRGFCXQIFHZAGPE-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.04
Rot. Bonds7

About 2-[N-cyclopropyl-4-[(cyclopropylamino)methyl]-2-fluoroanilino]ethanol

2-[N-cyclopropyl-4-[(cyclopropylamino)methyl]-2-fluoroanilino]ethanol (PubChem CID 54995451) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-[N-cyclopropyl-4-[(cyclopropylamino)methyl]-2-fluoroanilino]ethanol.

Molecular Properties

Compound Name2-[N-cyclopropyl-4-[(cyclopropylamino)methyl]-2-fluoroanilino]ethanol
PubChem CID54995451
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-[N-cyclopropyl-4-[(cyclopropylamino)methyl]-2-fluoroanilino]ethanol
SMILESOCCN(c1ccc(CNC2CC2)cc1F)C1CC1
InChIInChI=1S/C15H21FN2O/c16-14-9-11(10-17-12-2-3-12)1-6-15(14)18(7-8-19)13-4-5-13/h1,6,9,12-13,17,19H,2-5,7-8,10H2
InChIKeyRGFCXQIFHZAGPE-UHFFFAOYSA-N
XLogP2.04
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.04
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-[N-cyclopropyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol
CID 54995402
2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]ethanol
CID 54879393
2-[N-cyclopropyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63071679
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-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]propan-1-ol
CID 113426115
2-[N-cyclopropyl-2-methyl-4-(methylaminomethyl)anilino]ethanol
CID 62123664
N-cyclopropyl-2-fluoro-N-(2-methoxyethyl)-4-(methylaminomethyl)aniline
CID 54946681
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-2-methylaniline
CID 62123829
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethyl-2,6-difluoroaniline
CID 63051957
4-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethyl-2-fluoroaniline
CID 63957048
4-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-fluoro-N-methylaniline
CID 81057755

Frequently Asked Questions

What is the IUPAC name of 2-[N-cyclopropyl-4-[(cyclopropylamino)methyl]-2-fluoroanilino]ethanol?
The IUPAC name of 2-[N-cyclopropyl-4-[(cyclopropylamino)methyl]-2-fluoroanilino]ethanol (CID 54995451) is 2-[N-cyclopropyl-4-[(cyclopropylamino)methyl]-2-fluoroanilino]ethanol.
What is the SMILES notation for 2-[N-cyclopropyl-4-[(cyclopropylamino)methyl]-2-fluoroanilino]ethanol?
The canonical SMILES for 2-[N-cyclopropyl-4-[(cyclopropylamino)methyl]-2-fluoroanilino]ethanol is OCCN(c1ccc(CNC2CC2)cc1F)C1CC1.
What is the InChIKey of 2-[N-cyclopropyl-4-[(cyclopropylamino)methyl]-2-fluoroanilino]ethanol?
The InChIKey is RGFCXQIFHZAGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c16-14-9-11(10-17-12-2-3-12)1-6-15(14)18(7-8-19)13-4-5-13/h1,6,9,12-13,17,19H,2-5,7-8,10H2.
What are the key properties of 2-[N-cyclopropyl-4-[(cyclopropylamino)methyl]-2-fluoroanilino]ethanol?
2-[N-cyclopropyl-4-[(cyclopropylamino)methyl]-2-fluoroanilino]ethanol has a molecular weight of 264.34 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-cyclopropyl-4-[(cyclopropylamino)methyl]-2-fluoroanilino]ethanol is sourced from PubChem (CID 54995451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).