1-(ethylaminomethyl)-4-fluoro-2,3-dihydroinden-1-ol

C12H16FNO — CID 83070139

IUPAC1-(ethylaminomethyl)-4-fluoro-2,3-dihydroinden-1-ol
SMILESCCNCC1(O)CCc2c(F)cccc21
InChIInChI=1S/C12H16FNO/c1-2-14-8-12(15)7-6-9-10(12)4-3-5-11(9)13/h3-5,14-15H,2,6-8H2,1H3
InChIKeyFRASLVPZKQFAJN-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.57
Rot. Bonds3

About 1-(ethylaminomethyl)-4-fluoro-2,3-dihydroinden-1-ol

1-(ethylaminomethyl)-4-fluoro-2,3-dihydroinden-1-ol (PubChem CID 83070139) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-(ethylaminomethyl)-4-fluoro-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(ethylaminomethyl)-4-fluoro-2,3-dihydroinden-1-ol
PubChem CID83070139
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-(ethylaminomethyl)-4-fluoro-2,3-dihydroinden-1-ol
SMILESCCNCC1(O)CCc2c(F)cccc21
InChIInChI=1S/C12H16FNO/c1-2-14-8-12(15)7-6-9-10(12)4-3-5-11(9)13/h3-5,14-15H,2,6-8H2,1H3
InChIKeyFRASLVPZKQFAJN-UHFFFAOYSA-N
XLogP1.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylaminomethyl)-4-fluoro-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(ethylaminomethyl)-4-fluoro-2,3-dihydroinden-1-ol (CID 83070139) is 1-(ethylaminomethyl)-4-fluoro-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(ethylaminomethyl)-4-fluoro-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(ethylaminomethyl)-4-fluoro-2,3-dihydroinden-1-ol is CCNCC1(O)CCc2c(F)cccc21.
What is the InChIKey of 1-(ethylaminomethyl)-4-fluoro-2,3-dihydroinden-1-ol?
The InChIKey is FRASLVPZKQFAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-2-14-8-12(15)7-6-9-10(12)4-3-5-11(9)13/h3-5,14-15H,2,6-8H2,1H3.
What are the key properties of 1-(ethylaminomethyl)-4-fluoro-2,3-dihydroinden-1-ol?
1-(ethylaminomethyl)-4-fluoro-2,3-dihydroinden-1-ol has a molecular weight of 209.26 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylaminomethyl)-4-fluoro-2,3-dihydroinden-1-ol is sourced from PubChem (CID 83070139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).