1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-fluoro-2,3-dihydroinden-1-ol

C17H24FNO — CID 83069519

IUPAC1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-fluoro-2,3-dihydroinden-1-ol
SMILESCCC1CCC(CN)(C2(O)CCc3c(F)cccc32)C1
InChIInChI=1S/C17H24FNO/c1-2-12-6-8-16(10-12,11-19)17(20)9-7-13-14(17)4-3-5-15(13)18/h3-5,12,20H,2,6-11,19H2,1H3
InChIKeyNKXIQWZNNSCOPY-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.11
Rot. Bonds3

About 1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-fluoro-2,3-dihydroinden-1-ol

1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-fluoro-2,3-dihydroinden-1-ol (PubChem CID 83069519) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-fluoro-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-fluoro-2,3-dihydroinden-1-ol
PubChem CID83069519
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-fluoro-2,3-dihydroinden-1-ol
SMILESCCC1CCC(CN)(C2(O)CCc3c(F)cccc32)C1
InChIInChI=1S/C17H24FNO/c1-2-12-6-8-16(10-12,11-19)17(20)9-7-13-14(17)4-3-5-15(13)18/h3-5,12,20H,2,6-11,19H2,1H3
InChIKeyNKXIQWZNNSCOPY-UHFFFAOYSA-N
XLogP3.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-2,3-dihydro-1H-inden-1-ol
CID 14348695
9-(1-Aminopropan-2-yl)-9H-fluoren-9-ol--hydrogen chloride (1/1)
CID 27024
1-(aminomethyl)-6-fluoro-2,3-dihydro-1H-inden-1-ol
CID 55268800
1-(aminomethyl)-5-fluoro-2,3-dihydro-1H-inden-1-ol
CID 83906486
1-(2-aminoethyl)-2,3-dihydro-1H-inden-1-ol hydrochloride
CID 139026737
9-(1-Aminopropan-2-yl)fluoren-9-ol
CID 27025
6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 11565356
4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950999
1-(2-amino-3,3-dimethylcyclopentyl)-7-bromo-6-fluoro-2,2-dimethyl-3H-inden-1-ol
CID 58951003
4,5-difluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58951015
4-Fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,6,7,8-tetrahydro-as-indacen-1-ol
CID 58951027
7-ethenyl-4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58951028

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-fluoro-2,3-dihydroinden-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-fluoro-2,3-dihydroinden-1-ol (CID 83069519) is 1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-fluoro-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-fluoro-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-fluoro-2,3-dihydroinden-1-ol is CCC1CCC(CN)(C2(O)CCc3c(F)cccc32)C1.
What is the InChIKey of 1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-fluoro-2,3-dihydroinden-1-ol?
The InChIKey is NKXIQWZNNSCOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-2-12-6-8-16(10-12,11-19)17(20)9-7-13-14(17)4-3-5-15(13)18/h3-5,12,20H,2,6-11,19H2,1H3.
What are the key properties of 1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-fluoro-2,3-dihydroinden-1-ol?
1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-fluoro-2,3-dihydroinden-1-ol has a molecular weight of 277.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-fluoro-2,3-dihydroinden-1-ol is sourced from PubChem (CID 83069519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).