3-fluoro-5-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol

C15H18FNO — CID 114095653

IUPAC3-fluoro-5-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol
SMILESOc1cc(F)cc(CNC2C3C4CCC(C4)C23)c1
InChIInChI=1S/C15H18FNO/c16-11-3-8(4-12(18)6-11)7-17-15-13-9-1-2-10(5-9)14(13)15/h3-4,6,9-10,13-15,17-18H,1-2,5,7H2
InChIKeyGSMNHQYOKWOIEO-UHFFFAOYSA-N
MW247.31 g/mol
LogP2.67
Rot. Bonds3

About 3-fluoro-5-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol

3-fluoro-5-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol (PubChem CID 114095653) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 3-fluoro-5-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol
PubChem CID114095653
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name3-fluoro-5-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol
SMILESOc1cc(F)cc(CNC2C3C4CCC(C4)C23)c1
InChIInChI=1S/C15H18FNO/c16-11-3-8(4-12(18)6-11)7-17-15-13-9-1-2-10(5-9)14(13)15/h3-4,6,9-10,13-15,17-18H,1-2,5,7H2
InChIKeyGSMNHQYOKWOIEO-UHFFFAOYSA-N
XLogP2.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol?
The IUPAC name of 3-fluoro-5-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol (CID 114095653) is 3-fluoro-5-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol.
What is the SMILES notation for 3-fluoro-5-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol?
The canonical SMILES for 3-fluoro-5-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol is Oc1cc(F)cc(CNC2C3C4CCC(C4)C23)c1.
What is the InChIKey of 3-fluoro-5-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol?
The InChIKey is GSMNHQYOKWOIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c16-11-3-8(4-12(18)6-11)7-17-15-13-9-1-2-10(5-9)14(13)15/h3-4,6,9-10,13-15,17-18H,1-2,5,7H2.
What are the key properties of 3-fluoro-5-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol?
3-fluoro-5-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol has a molecular weight of 247.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol is sourced from PubChem (CID 114095653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).