5-fluoro-1-[(2-methylpropylamino)methyl]-2,3-dihydroinden-1-ol

C14H20FNO — CID 116532263

IUPAC5-fluoro-1-[(2-methylpropylamino)methyl]-2,3-dihydroinden-1-ol
SMILESCC(C)CNCC1(O)CCc2cc(F)ccc21
InChIInChI=1S/C14H20FNO/c1-10(2)8-16-9-14(17)6-5-11-7-12(15)3-4-13(11)14/h3-4,7,10,16-17H,5-6,8-9H2,1-2H3
InChIKeyVGOWGEQUGIAFFP-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.21
Rot. Bonds4

About 5-fluoro-1-[(2-methylpropylamino)methyl]-2,3-dihydroinden-1-ol

5-fluoro-1-[(2-methylpropylamino)methyl]-2,3-dihydroinden-1-ol (PubChem CID 116532263) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 5-fluoro-1-[(2-methylpropylamino)methyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name5-fluoro-1-[(2-methylpropylamino)methyl]-2,3-dihydroinden-1-ol
PubChem CID116532263
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name5-fluoro-1-[(2-methylpropylamino)methyl]-2,3-dihydroinden-1-ol
SMILESCC(C)CNCC1(O)CCc2cc(F)ccc21
InChIInChI=1S/C14H20FNO/c1-10(2)8-16-9-14(17)6-5-11-7-12(15)3-4-13(11)14/h3-4,7,10,16-17H,5-6,8-9H2,1-2H3
InChIKeyVGOWGEQUGIAFFP-UHFFFAOYSA-N
XLogP2.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(2-methylpropylamino)methyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 5-fluoro-1-[(2-methylpropylamino)methyl]-2,3-dihydroinden-1-ol (CID 116532263) is 5-fluoro-1-[(2-methylpropylamino)methyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 5-fluoro-1-[(2-methylpropylamino)methyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 5-fluoro-1-[(2-methylpropylamino)methyl]-2,3-dihydroinden-1-ol is CC(C)CNCC1(O)CCc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-[(2-methylpropylamino)methyl]-2,3-dihydroinden-1-ol?
The InChIKey is VGOWGEQUGIAFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10(2)8-16-9-14(17)6-5-11-7-12(15)3-4-13(11)14/h3-4,7,10,16-17H,5-6,8-9H2,1-2H3.
What are the key properties of 5-fluoro-1-[(2-methylpropylamino)methyl]-2,3-dihydroinden-1-ol?
5-fluoro-1-[(2-methylpropylamino)methyl]-2,3-dihydroinden-1-ol has a molecular weight of 237.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(2-methylpropylamino)methyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 116532263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).