2-[N-cyclobutyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]ethanol

C15H23FN2O — CID 102863575

IUPAC2-[N-cyclobutyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]ethanol
SMILESCNC(C)c1ccc(N(CCO)C2CCC2)c(F)c1
InChIInChI=1S/C15H23FN2O/c1-11(17-2)12-6-7-15(14(16)10-12)18(8-9-19)13-4-3-5-13/h6-7,10-11,13,17,19H,3-5,8-9H2,1-2H3
InChIKeyXPUMRVFZADMONF-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.46
Rot. Bonds6

About 2-[N-cyclobutyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]ethanol

2-[N-cyclobutyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]ethanol (PubChem CID 102863575) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-[N-cyclobutyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-cyclobutyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]ethanol
PubChem CID102863575
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-[N-cyclobutyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]ethanol
SMILESCNC(C)c1ccc(N(CCO)C2CCC2)c(F)c1
InChIInChI=1S/C15H23FN2O/c1-11(17-2)12-6-7-15(14(16)10-12)18(8-9-19)13-4-3-5-13/h6-7,10-11,13,17,19H,3-5,8-9H2,1-2H3
InChIKeyXPUMRVFZADMONF-UHFFFAOYSA-N
XLogP2.46
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.46
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

(1R)-1-[4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol
CID 78940583
2-[2-chloro-N-cyclobutyl-4-[1-(methylamino)ethyl]anilino]ethanol
CID 102863479
3-[2-bromo-N-cyclobutyl-4-[1-(methylamino)ethyl]anilino]propan-1-ol
CID 102863360
2-[N-cyclopropyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol
CID 54995402
1-[4-[cyclopentyl(ethyl)amino]-3-fluorophenyl]ethanol
CID 43541379
4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzaldehyde
CID 54994433
2-[N-cyclobutyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol
CID 102863558
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline
CID 43284213
(1R)-1-[2-[cyclopentyl(2-hydroxyethyl)amino]-5-fluorophenyl]ethanol
CID 63372730
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline
CID 63864988
2-[4-(1-aminoethyl)-2-chloro-N-cyclohexylanilino]ethanol
CID 62911690
2-[4-[(1R)-1-aminoethyl]-2-chloro-N-cyclopentylanilino]ethanol
CID 63368770

Frequently Asked Questions

What is the IUPAC name of 2-[N-cyclobutyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]ethanol?
The IUPAC name of 2-[N-cyclobutyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]ethanol (CID 102863575) is 2-[N-cyclobutyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]ethanol.
What is the SMILES notation for 2-[N-cyclobutyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]ethanol?
The canonical SMILES for 2-[N-cyclobutyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]ethanol is CNC(C)c1ccc(N(CCO)C2CCC2)c(F)c1.
What is the InChIKey of 2-[N-cyclobutyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]ethanol?
The InChIKey is XPUMRVFZADMONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11(17-2)12-6-7-15(14(16)10-12)18(8-9-19)13-4-3-5-13/h6-7,10-11,13,17,19H,3-5,8-9H2,1-2H3.
What are the key properties of 2-[N-cyclobutyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]ethanol?
2-[N-cyclobutyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]ethanol has a molecular weight of 266.36 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-cyclobutyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]ethanol is sourced from PubChem (CID 102863575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).