8-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline

C16H16FNO — CID 115505142

IUPAC8-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc(-c2cccc3c2NCCC3)c(F)c1
InChIInChI=1S/C16H16FNO/c1-19-12-7-8-13(15(17)10-12)14-6-2-4-11-5-3-9-18-16(11)14/h2,4,6-8,10,18H,3,5,9H2,1H3
InChIKeyYXWSRFSJJSVLHR-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.86
Rot. Bonds2

About 8-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline

8-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 115505142) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 8-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
PubChem CID115505142
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name8-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc(-c2cccc3c2NCCC3)c(F)c1
InChIInChI=1S/C16H16FNO/c1-19-12-7-8-13(15(17)10-12)14-6-2-4-11-5-3-9-18-16(11)14/h2,4,6-8,10,18H,3,5,9H2,1H3
InChIKeyYXWSRFSJJSVLHR-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(4-ethoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224095
8-(3-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224952
8-(4-propoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224011
3-(2-fluoro-4-methoxyphenyl)-2-methylpyridine
CID 118448916
5-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 169410303
4-fluoro-3-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 114837968
8-[(5-fluoro-2-methoxyphenyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 61027694
8-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroquinoline
CID 102969938
2-fluoro-1-(4-fluorophenyl)-4-methoxybenzene
CID 46312221
8-[(3,5-difluoro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 112676286
7-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224636
8-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 106781756

Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline (CID 115505142) is 8-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline is COc1ccc(-c2cccc3c2NCCC3)c(F)c1.
What is the InChIKey of 8-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is YXWSRFSJJSVLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-19-12-7-8-13(15(17)10-12)14-6-2-4-11-5-3-9-18-16(11)14/h2,4,6-8,10,18H,3,5,9H2,1H3.
What are the key properties of 8-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline?
8-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 257.31 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 115505142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).