7-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline

C17H18FNO — CID 106781151

IUPAC7-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCOc1cccc(Cc2ccc3c(c2)NCCC3)c1F
InChIInChI=1S/C17H18FNO/c1-20-16-6-2-4-14(17(16)18)10-12-7-8-13-5-3-9-19-15(13)11-12/h2,4,6-8,11,19H,3,5,9-10H2,1H3
InChIKeyBFFKNKIDWFBNFL-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.78
Rot. Bonds3

About 7-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline

7-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 106781151) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 7-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID106781151
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name7-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCOc1cccc(Cc2ccc3c(c2)NCCC3)c1F
InChIInChI=1S/C17H18FNO/c1-20-16-6-2-4-14(17(16)18)10-12-7-8-13-5-3-9-19-15(13)11-12/h2,4,6-8,11,19H,3,5,9-10H2,1H3
InChIKeyBFFKNKIDWFBNFL-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(2-methoxy-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63970758
7-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224324
(2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 116554428
5-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106781161
7-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224481
5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106778070
N-(4-fluorophenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-7-amine
CID 81215309
8-[(5-fluoro-2-methoxyphenyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 61027694
6-[(4-methoxy-1-methylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114662277
7-octyl-1,2,3,4-tetrahydroquinoline
CID 106778470
6-methoxy-7-methyl-1,2,3,4-tetrahydroquinoline
CID 84656157
5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 133058760

Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline (CID 106781151) is 7-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline is COc1cccc(Cc2ccc3c(c2)NCCC3)c1F.
What is the InChIKey of 7-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is BFFKNKIDWFBNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-20-16-6-2-4-14(17(16)18)10-12-7-8-13-5-3-9-19-15(13)11-12/h2,4,6-8,11,19H,3,5,9-10H2,1H3.
What are the key properties of 7-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
7-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 271.34 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106781151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).