2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline

C11H14FN — CID 58157151

IUPAC2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline
SMILESCCN1CCc2c(F)cccc2C1
InChIInChI=1S/C11H14FN/c1-2-13-7-6-10-9(8-13)4-3-5-11(10)12/h3-5H,2,6-8H2,1H3
InChIKeySNJZKPIYMRXQAD-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.20
Rot. Bonds1

About 2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline

2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline (PubChem CID 58157151) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline
PubChem CID58157151
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline
SMILESCCN1CCc2c(F)cccc2C1
InChIInChI=1S/C11H14FN/c1-2-13-7-6-10-9(8-13)4-3-5-11(10)12/h3-5H,2,6-8H2,1H3
InChIKeySNJZKPIYMRXQAD-UHFFFAOYSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline
CID 143140351
ethane;2-ethyl-5-methyl-3,4-dihydro-1H-isoquinoline
CID 162382873
2-ethyl-5-propyl-3,4-dihydro-1H-isoquinoline
CID 143173694
(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)methanamine
CID 82581532
2-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide
CID 110456763
5-fluoro-2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinoline
CID 110456774
5-bromo-2-[(2-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 46256877
2-benzyl-5-(4-ethylpiperazin-1-yl)-3,4-dihydro-1H-isoquinoline
CID 154455310
2-ethylsulfonyl-4-fluoro-1,3-dihydroisoindole
CID 67574769
8-fluoro-2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 174236267
5-fluoro-2-[1-[(4-fluorophenyl)methyl]azetidin-3-yl]-3,4-dihydro-1H-isoquinoline
CID 164880651
6-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline
CID 58157144

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline (CID 58157151) is 2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline is CCN1CCc2c(F)cccc2C1.
What is the InChIKey of 2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline?
The InChIKey is SNJZKPIYMRXQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-2-13-7-6-10-9(8-13)4-3-5-11(10)12/h3-5H,2,6-8H2,1H3.
What are the key properties of 2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline?
2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline has a molecular weight of 179.24 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 58157151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).