2-[(3-fluorophenyl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline

C17H18FN — CID 106777861

IUPAC2-[(3-fluorophenyl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1Cc2ccccc2NC1Cc1cccc(F)c1
InChIInChI=1S/C17H18FN/c1-12-9-14-6-2-3-8-16(14)19-17(12)11-13-5-4-7-15(18)10-13/h2-8,10,12,17,19H,9,11H2,1H3
InChIKeyWGRQOOSXPWGSOY-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.04
Rot. Bonds2

About 2-[(3-fluorophenyl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline

2-[(3-fluorophenyl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 106777861) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID106777861
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name2-[(3-fluorophenyl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1Cc2ccccc2NC1Cc1cccc(F)c1
InChIInChI=1S/C17H18FN/c1-12-9-14-6-2-3-8-16(14)19-17(12)11-13-5-4-7-15(18)10-13/h2-8,10,12,17,19H,9,11H2,1H3
InChIKeyWGRQOOSXPWGSOY-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3R)-2-(fluoromethyl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 139326096
2-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indole
CID 65041975
3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106780034
2-hexyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106778414
(2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline
CID 102507922
(2R,3R)-2-benzyl-3-phenyl-1,2,3,4-tetrahydroquinoline
CID 15312192
2-[(1-ethylimidazol-2-yl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106780430
2-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indole
CID 65041795
2-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82389065
ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895
2-(2,3-difluorophenyl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 115502761
3-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline
CID 106780070

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline (CID 106777861) is 2-[(3-fluorophenyl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline is CC1Cc2ccccc2NC1Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is WGRQOOSXPWGSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c1-12-9-14-6-2-3-8-16(14)19-17(12)11-13-5-4-7-15(18)10-13/h2-8,10,12,17,19H,9,11H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline?
2-[(3-fluorophenyl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 255.34 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106777861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).