6-(benzylamino)-4-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol

C18H20FNO — CID 155659597

IUPAC6-(benzylamino)-4-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol
SMILESCC1(C)CC(O)c2cc(NCc3ccccc3)cc(F)c21
InChIInChI=1S/C18H20FNO/c1-18(2)10-16(21)14-8-13(9-15(19)17(14)18)20-11-12-6-4-3-5-7-12/h3-9,16,20-21H,10-11H2,1-2H3
InChIKeyMKWPCCFITGGNIL-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.15
Rot. Bonds3

About 6-(benzylamino)-4-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol

6-(benzylamino)-4-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol (PubChem CID 155659597) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 6-(benzylamino)-4-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol.

Molecular Properties

Compound Name6-(benzylamino)-4-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol
PubChem CID155659597
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name6-(benzylamino)-4-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol
SMILESCC1(C)CC(O)c2cc(NCc3ccccc3)cc(F)c21
InChIInChI=1S/C18H20FNO/c1-18(2)10-16(21)14-8-13(9-15(19)17(14)18)20-11-12-6-4-3-5-7-12/h3-9,16,20-21H,10-11H2,1-2H3
InChIKeyMKWPCCFITGGNIL-UHFFFAOYSA-N
XLogP4.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-4-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol?
The IUPAC name of 6-(benzylamino)-4-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol (CID 155659597) is 6-(benzylamino)-4-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol.
What is the SMILES notation for 6-(benzylamino)-4-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol?
The canonical SMILES for 6-(benzylamino)-4-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol is CC1(C)CC(O)c2cc(NCc3ccccc3)cc(F)c21.
What is the InChIKey of 6-(benzylamino)-4-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol?
The InChIKey is MKWPCCFITGGNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-18(2)10-16(21)14-8-13(9-15(19)17(14)18)20-11-12-6-4-3-5-7-12/h3-9,16,20-21H,10-11H2,1-2H3.
What are the key properties of 6-(benzylamino)-4-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol?
6-(benzylamino)-4-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol has a molecular weight of 285.36 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-4-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol is sourced from PubChem (CID 155659597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).