2-[[4-(4-fluoro-N-methylanilino)cyclohexyl]amino]ethanol

C15H23FN2O — CID 70610902

IUPAC2-[[4-(4-fluoro-N-methylanilino)cyclohexyl]amino]ethanol
SMILESCN(c1ccc(F)cc1)C1CCC(NCCO)CC1
InChIInChI=1S/C15H23FN2O/c1-18(14-6-2-12(16)3-7-14)15-8-4-13(5-9-15)17-10-11-19/h2-3,6-7,13,15,17,19H,4-5,8-11H2,1H3
InChIKeyAGMISPFEAFXDIO-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.15
Rot. Bonds5

About 2-[[4-(4-fluoro-N-methylanilino)cyclohexyl]amino]ethanol

2-[[4-(4-fluoro-N-methylanilino)cyclohexyl]amino]ethanol (PubChem CID 70610902) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-[[4-(4-fluoro-N-methylanilino)cyclohexyl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(4-fluoro-N-methylanilino)cyclohexyl]amino]ethanol
PubChem CID70610902
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-[[4-(4-fluoro-N-methylanilino)cyclohexyl]amino]ethanol
SMILESCN(c1ccc(F)cc1)C1CCC(NCCO)CC1
InChIInChI=1S/C15H23FN2O/c1-18(14-6-2-12(16)3-7-14)15-8-4-13(5-9-15)17-10-11-19/h2-3,6-7,13,15,17,19H,4-5,8-11H2,1H3
InChIKeyAGMISPFEAFXDIO-UHFFFAOYSA-N
XLogP2.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluoro-N-methylanilino)cyclohexyl]amino]ethanol?
The IUPAC name of 2-[[4-(4-fluoro-N-methylanilino)cyclohexyl]amino]ethanol (CID 70610902) is 2-[[4-(4-fluoro-N-methylanilino)cyclohexyl]amino]ethanol.
What is the SMILES notation for 2-[[4-(4-fluoro-N-methylanilino)cyclohexyl]amino]ethanol?
The canonical SMILES for 2-[[4-(4-fluoro-N-methylanilino)cyclohexyl]amino]ethanol is CN(c1ccc(F)cc1)C1CCC(NCCO)CC1.
What is the InChIKey of 2-[[4-(4-fluoro-N-methylanilino)cyclohexyl]amino]ethanol?
The InChIKey is AGMISPFEAFXDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-18(14-6-2-12(16)3-7-14)15-8-4-13(5-9-15)17-10-11-19/h2-3,6-7,13,15,17,19H,4-5,8-11H2,1H3.
What are the key properties of 2-[[4-(4-fluoro-N-methylanilino)cyclohexyl]amino]ethanol?
2-[[4-(4-fluoro-N-methylanilino)cyclohexyl]amino]ethanol has a molecular weight of 266.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluoro-N-methylanilino)cyclohexyl]amino]ethanol is sourced from PubChem (CID 70610902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).