N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-fluorophenyl]methyl]ethanamine

C18H21FN2 — CID 43313766

IUPACN-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1N1CCc2ccccc2C1
InChIInChI=1S/C18H21FN2/c1-2-20-12-16-11-17(19)7-8-18(16)21-10-9-14-5-3-4-6-15(14)13-21/h3-8,11,20H,2,9-10,12-13H2,1H3
InChIKeyLKQLOSFKYXGIGR-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.50
Rot. Bonds4

About N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-fluorophenyl]methyl]ethanamine

N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-fluorophenyl]methyl]ethanamine (PubChem CID 43313766) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-fluorophenyl]methyl]ethanamine
PubChem CID43313766
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC NameN-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1N1CCc2ccccc2C1
InChIInChI=1S/C18H21FN2/c1-2-20-12-16-11-17(19)7-8-18(16)21-10-9-14-5-3-4-6-15(14)13-21/h3-8,11,20H,2,9-10,12-13H2,1H3
InChIKeyLKQLOSFKYXGIGR-UHFFFAOYSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]ethanamine
CID 81248813
N-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluorophenyl]methyl]ethanamine
CID 84753459
[2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanol
CID 62206262
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluoroaniline
CID 62375892
N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluorophenyl]methyl]ethanamine
CID 61445256
N-[[5-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]ethanamine
CID 114925111
[2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanamine
CID 55049952
N-[[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]methyl]ethanamine
CID 62332170
N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]ethanamine
CID 43314015
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluorophenyl]methyl]ethanamine
CID 79916053
N-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluorophenyl]methyl]butan-1-amine
CID 84753457
(1S)-1-[5-fluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanol
CID 78938471

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-fluorophenyl]methyl]ethanamine (CID 43313766) is N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-fluorophenyl]methyl]ethanamine is CCNCc1cc(F)ccc1N1CCc2ccccc2C1.
What is the InChIKey of N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-fluorophenyl]methyl]ethanamine?
The InChIKey is LKQLOSFKYXGIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-2-20-12-16-11-17(19)7-8-18(16)21-10-9-14-5-3-4-6-15(14)13-21/h3-8,11,20H,2,9-10,12-13H2,1H3.
What are the key properties of N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-fluorophenyl]methyl]ethanamine?
N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-fluorophenyl]methyl]ethanamine has a molecular weight of 284.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 43313766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).