6-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline

C16H16FNO — CID 55079489

IUPAC6-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc(F)cc1-c1ccc2c(c1)CCCN2
InChIInChI=1S/C16H16FNO/c1-19-16-7-5-13(17)10-14(16)11-4-6-15-12(9-11)3-2-8-18-15/h4-7,9-10,18H,2-3,8H2,1H3
InChIKeyPDHKYGGCHKJQGH-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.86
Rot. Bonds2

About 6-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline

6-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 55079489) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 6-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
PubChem CID55079489
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name6-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc(F)cc1-c1ccc2c(c1)CCCN2
InChIInChI=1S/C16H16FNO/c1-19-16-7-5-13(17)10-14(16)11-4-6-15-12(9-11)3-2-8-18-15/h4-7,9-10,18H,2-3,8H2,1H3
InChIKeyPDHKYGGCHKJQGH-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

7-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224324
6-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62500963
3-(2,3-dihydro-1H-indol-5-yl)-4-methoxybenzoic acid
CID 82039141
6-(2-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62500792
6-methoxy-7-phenyl-1,2,3,4-tetrahydroquinoline
CID 23078397
6-(4-methoxy-1-methylpyrazol-5-yl)-1,2,3,4-tetrahydroquinoline
CID 106781305
5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole
CID 62502645
7-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224481
6-(2,4-dimethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62502822
6-(3-bromo-2-fluorophenyl)-1,2,3,4-tetrahydroquinoline
CID 106646341
7-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224636
6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 63424137

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline (CID 55079489) is 6-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline is COc1ccc(F)cc1-c1ccc2c(c1)CCCN2.
What is the InChIKey of 6-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is PDHKYGGCHKJQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-19-16-7-5-13(17)10-14(16)11-4-6-15-12(9-11)3-2-8-18-15/h4-7,9-10,18H,2-3,8H2,1H3.
What are the key properties of 6-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline?
6-(5-fluoro-2-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 6-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 55079489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).