1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-5-fluoro-2,3-dihydroinden-1-ol

C17H22FNO — CID 116532506

IUPAC1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-5-fluoro-2,3-dihydroinden-1-ol
SMILESNCC1(C2(O)CCc3cc(F)ccc32)CC2CCC1C2
InChIInChI=1S/C17H22FNO/c18-14-3-4-15-12(8-14)5-6-17(15,20)16(10-19)9-11-1-2-13(16)7-11/h3-4,8,11,13,20H,1-2,5-7,9-10,19H2
InChIKeyTYGGJANWEJHHCO-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.72
Rot. Bonds2

About 1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-5-fluoro-2,3-dihydroinden-1-ol

1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-5-fluoro-2,3-dihydroinden-1-ol (PubChem CID 116532506) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-5-fluoro-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-5-fluoro-2,3-dihydroinden-1-ol
PubChem CID116532506
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-5-fluoro-2,3-dihydroinden-1-ol
SMILESNCC1(C2(O)CCc3cc(F)ccc32)CC2CCC1C2
InChIInChI=1S/C17H22FNO/c18-14-3-4-15-12(8-14)5-6-17(15,20)16(10-19)9-11-1-2-13(16)7-11/h3-4,8,11,13,20H,1-2,5-7,9-10,19H2
InChIKeyTYGGJANWEJHHCO-UHFFFAOYSA-N
XLogP2.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-5-fluoro-2,3-dihydroinden-1-ol
CID 116532515
5-fluoro-1-(oxan-4-yl)-2,3-dihydroinden-1-ol
CID 116531788
1-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 116532488
1-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile
CID 116532491
1-ethyl-5-fluoro-2,3-dihydroinden-1-ol
CID 59340428
(6-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine
CID 115057321
2-[[1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-yl]oxy]ethanol
CID 103376919
1-(3,4-dimethylcyclohexyl)-5-fluoro-2,3-dihydroinden-1-amine
CID 116532004
1-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2,3-dihydroinden-1-ol
CID 79127706
1-(difluoromethyl)-5-fluoro-2,3-dihydroinden-1-ol
CID 116531692
1-(cyclohexylmethyl)-5-fluoro-2,3-dihydroinden-1-amine
CID 116531949
5-fluoro-1-prop-2-enyl-2,3-dihydroinden-1-ol
CID 116531622

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-5-fluoro-2,3-dihydroinden-1-ol?
The IUPAC name of 1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-5-fluoro-2,3-dihydroinden-1-ol (CID 116532506) is 1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-5-fluoro-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-5-fluoro-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-5-fluoro-2,3-dihydroinden-1-ol is NCC1(C2(O)CCc3cc(F)ccc32)CC2CCC1C2.
What is the InChIKey of 1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-5-fluoro-2,3-dihydroinden-1-ol?
The InChIKey is TYGGJANWEJHHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c18-14-3-4-15-12(8-14)5-6-17(15,20)16(10-19)9-11-1-2-13(16)7-11/h3-4,8,11,13,20H,1-2,5-7,9-10,19H2.
What are the key properties of 1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-5-fluoro-2,3-dihydroinden-1-ol?
1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-5-fluoro-2,3-dihydroinden-1-ol has a molecular weight of 275.37 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-5-fluoro-2,3-dihydroinden-1-ol is sourced from PubChem (CID 116532506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).