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

C15H23FN2O2 — CID 63071679

IUPAC2-[N-cyclopropyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
SMILESCOCCNCc1ccc(N(CCO)C2CC2)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-20-9-6-17-11-12-2-5-15(14(16)10-12)18(7-8-19)13-3-4-13/h2,5,10,13,17,19H,3-4,6-9,11H2,1H3
InChIKeyMMZSACMZNWGUQL-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.52
Rot. Bonds9

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

2-[N-cyclopropyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol (PubChem CID 63071679) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[N-cyclopropyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-cyclopropyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
PubChem CID63071679
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-[N-cyclopropyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
SMILESCOCCNCc1ccc(N(CCO)C2CC2)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-20-9-6-17-11-12-2-5-15(14(16)10-12)18(7-8-19)13-3-4-13/h2,5,10,13,17,19H,3-4,6-9,11H2,1H3
InChIKeyMMZSACMZNWGUQL-UHFFFAOYSA-N
XLogP1.52
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[N-cyclopropyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol
CID 54995402
N-cyclopropyl-2-fluoro-N-(2-methoxyethyl)-4-(methylaminomethyl)aniline
CID 54946681
2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63058478
2-[N-cyclopropyl-4-[(cyclopropylamino)methyl]-2-fluoroanilino]ethanol
CID 54995451
N-cyclopentyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63061084
N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63060724
2-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]ethanol
CID 63058822
N-cyclopentyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline
CID 63059852
1-[2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylanilino]-2-methylpropan-2-ol
CID 79389708
2-[N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63059172
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 107288905
2-[4-[(2-methoxyethylamino)methyl]-2-methyl-N-propan-2-ylanilino]ethanol
CID 63070701

Frequently Asked Questions

What is the IUPAC name of 2-[N-cyclopropyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol?
The IUPAC name of 2-[N-cyclopropyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol (CID 63071679) is 2-[N-cyclopropyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol.
What is the SMILES notation for 2-[N-cyclopropyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol?
The canonical SMILES for 2-[N-cyclopropyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol is COCCNCc1ccc(N(CCO)C2CC2)c(F)c1.
What is the InChIKey of 2-[N-cyclopropyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol?
The InChIKey is MMZSACMZNWGUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-20-9-6-17-11-12-2-5-15(14(16)10-12)18(7-8-19)13-3-4-13/h2,5,10,13,17,19H,3-4,6-9,11H2,1H3.
What are the key properties of 2-[N-cyclopropyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol?
2-[N-cyclopropyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol has a molecular weight of 282.36 g/mol, XLogP of 1.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-cyclopropyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol is sourced from PubChem (CID 63071679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).