3-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-fluorophenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine

C24H27FN2OS — CID 138560395

IUPAC3-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-fluorophenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNCCC(Oc1ccc(CN2CCCc3ccccc32)c(F)c1)c1cccs1
InChIInChI=1S/C24H27FN2OS/c1-26-13-12-23(24-9-5-15-29-24)28-20-11-10-19(21(25)16-20)17-27-14-4-7-18-6-2-3-8-22(18)27/h2-3,5-6,8-11,15-16,23,26H,4,7,12-14,17H2,1H3
InChIKeyZCFSVBUVEDECHU-UHFFFAOYSA-N
MW410.56 g/mol
LogP5.57
Rot. Bonds8

About 3-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-fluorophenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine

3-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-fluorophenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 138560395) has the molecular formula C24H27FN2OS and a molecular weight of 410.56 g/mol. Its IUPAC name is 3-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-fluorophenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-fluorophenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine
PubChem CID138560395
Molecular FormulaC24H27FN2OS
Molecular Weight410.56 g/mol
Exact Mass410.18
IUPAC Name3-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-fluorophenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNCCC(Oc1ccc(CN2CCCc3ccccc32)c(F)c1)c1cccs1
InChIInChI=1S/C24H27FN2OS/c1-26-13-12-23(24-9-5-15-29-24)28-20-11-10-19(21(25)16-20)17-27-14-4-7-18-6-2-3-8-22(18)27/h2-3,5-6,8-11,15-16,23,26H,4,7,12-14,17H2,1H3
InChIKeyZCFSVBUVEDECHU-UHFFFAOYSA-N
XLogP5.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-fluorophenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine with MolForge

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Related Compounds

1-(2-Methoxyphenyl)-4-(3-(thiophen-3-yl)-3-(4-(trifluoromethyl)phenoxy)propyl)piperazine
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US11401270, Example 1
CID 142566879
1-(4-Fluorophenyl)-3-[1-[3-thiophen-2-yl-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]urea
CID 172447145
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CID 58956464
(4aS,5R,10bS)-5-thiophen-3-yl-9-(trifluoromethoxy)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 58956580

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-fluorophenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 3-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-fluorophenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine (CID 138560395) is 3-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-fluorophenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 3-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-fluorophenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 3-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-fluorophenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine is CNCCC(Oc1ccc(CN2CCCc3ccccc32)c(F)c1)c1cccs1.
What is the InChIKey of 3-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-fluorophenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is ZCFSVBUVEDECHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2OS/c1-26-13-12-23(24-9-5-15-29-24)28-20-11-10-19(21(25)16-20)17-27-14-4-7-18-6-2-3-8-22(18)27/h2-3,5-6,8-11,15-16,23,26H,4,7,12-14,17H2,1H3.
What are the key properties of 3-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-fluorophenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine?
3-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-fluorophenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 410.56 g/mol, XLogP of 5.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-fluorophenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 138560395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).