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

C18H20FNO — CID 65096294

IUPAC2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc(CCC2CCc3ccccc3N2)cc1F
InChIInChI=1S/C18H20FNO/c1-21-18-11-7-13(12-16(18)19)6-9-15-10-8-14-4-2-3-5-17(14)20-15/h2-5,7,11-12,15,20H,6,8-10H2,1H3
InChIKeyVZHLHADHJCMGTQ-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.19
Rot. Bonds4

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

2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 65096294) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
PubChem CID65096294
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc(CCC2CCc3ccccc3N2)cc1F
InChIInChI=1S/C18H20FNO/c1-21-18-11-7-13(12-16(18)19)6-9-15-10-8-14-4-2-3-5-17(14)20-15/h2-5,7,11-12,15,20H,6,8-10H2,1H3
InChIKeyVZHLHADHJCMGTQ-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline with MolForge

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Related Compounds

4-ethyl-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidine
CID 114426204
(3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol
CID 65101161
1-(2,3-dihydro-1H-inden-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65405905
2-(iodomethyl)-1,2,3,4-tetrahydroquinoline
CID 11778039
2-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 115208444
2-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 64955508
4-(3-fluoro-4-methoxyphenyl)-N,N-dimethylbutan-1-amine
CID 155593714
2-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 66117014
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 18142585
2-(3-bromopropyl)-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 80691067
2-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107127485
6-[2-(2-methoxyphenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 105379417

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline (CID 65096294) is 2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline is COc1ccc(CCC2CCc3ccccc3N2)cc1F.
What is the InChIKey of 2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is VZHLHADHJCMGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-21-18-11-7-13(12-16(18)19)6-9-15-10-8-14-4-2-3-5-17(14)20-15/h2-5,7,11-12,15,20H,6,8-10H2,1H3.
What are the key properties of 2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline?
2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 285.36 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 65096294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).