5-fluoro-2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinoline

C19H22FNO — CID 110456774

IUPAC5-fluoro-2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(CCCN2CCc3c(F)cccc3C2)cc1
InChIInChI=1S/C19H22FNO/c1-22-17-9-7-15(8-10-17)4-3-12-21-13-11-18-16(14-21)5-2-6-19(18)20/h2,5-10H,3-4,11-14H2,1H3
InChIKeyHFBMVXQRXYGJOL-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.83
Rot. Bonds5

About 5-fluoro-2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinoline

5-fluoro-2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 110456774) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is 5-fluoro-2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name5-fluoro-2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinoline
PubChem CID110456774
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name5-fluoro-2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(CCCN2CCc3c(F)cccc3C2)cc1
InChIInChI=1S/C19H22FNO/c1-22-17-9-7-15(8-10-17)4-3-12-21-13-11-18-16(14-21)5-2-6-19(18)20/h2,5-10H,3-4,11-14H2,1H3
InChIKeyHFBMVXQRXYGJOL-UHFFFAOYSA-N
XLogP3.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinolin-6-amine
CID 82581602
ethane;5-methyl-2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline
CID 143140384
2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline
CID 58157151
ethane;2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline
CID 143140351
2-[3-(4-methoxyphenyl)propyl]-4-methyl-3,4-dihydro-1H-isoquinoline
CID 110457325
1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027
2-[3-(4-methoxyphenyl)propyl]-3-methyl-3,4-dihydro-1H-isoquinoline
CID 110457305
2-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 102877712
2-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide
CID 110456763
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-methoxybenzamide
CID 39614213
ethane;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]phenol
CID 144898004
1-[6-(4-methoxyphenyl)hexyl]piperidine
CID 129295861

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 5-fluoro-2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinoline (CID 110456774) is 5-fluoro-2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 5-fluoro-2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 5-fluoro-2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinoline is COc1ccc(CCCN2CCc3c(F)cccc3C2)cc1.
What is the InChIKey of 5-fluoro-2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is HFBMVXQRXYGJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO/c1-22-17-9-7-15(8-10-17)4-3-12-21-13-11-18-16(14-21)5-2-6-19(18)20/h2,5-10H,3-4,11-14H2,1H3.
What are the key properties of 5-fluoro-2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinoline?
5-fluoro-2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 299.39 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 110456774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).