N-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine

C17H20FNS — CID 54241547

IUPACN-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
SMILESCN(CCc1cccs1)CC1CCc2cc(F)ccc21
InChIInChI=1S/C17H20FNS/c1-19(9-8-16-3-2-10-20-16)12-14-5-4-13-11-15(18)6-7-17(13)14/h2-3,6-7,10-11,14H,4-5,8-9,12H2,1H3
InChIKeyQQIZPIKWFFNGEM-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.09
Rot. Bonds5

About N-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine

N-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine (PubChem CID 54241547) has the molecular formula C17H20FNS and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
PubChem CID54241547
Molecular FormulaC17H20FNS
Molecular Weight289.42 g/mol
Exact Mass289.13
IUPAC NameN-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
SMILESCN(CCc1cccs1)CC1CCc2cc(F)ccc21
InChIInChI=1S/C17H20FNS/c1-19(9-8-16-3-2-10-20-16)12-14-5-4-13-11-15(18)6-7-17(13)14/h2-3,6-7,10-11,14H,4-5,8-9,12H2,1H3
InChIKeyQQIZPIKWFFNGEM-UHFFFAOYSA-N
XLogP4.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine with MolForge

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Launch Full Analysis

Related Compounds

1-N-methyl-1-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79741459
N-[(7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 15023245
4-fluoro-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzoic acid
CID 107908041
N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-(2-thiophen-2-ylethyl)propan-1-amine;hydrochloride
CID 23126384
5-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 15029809
N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methyl-2-thiophen-2-ylethanamine
CID 79488069
1-(4-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 79486454
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62574525
N-ethyl-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]cycloheptan-1-amine
CID 79486152
2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 79485681
N-cyclopropyl-3-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496100
2-fluoro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzonitrile
CID 103758567

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine?
The IUPAC name of N-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine (CID 54241547) is N-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine is CN(CCc1cccs1)CC1CCc2cc(F)ccc21.
What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine?
The InChIKey is QQIZPIKWFFNGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNS/c1-19(9-8-16-3-2-10-20-16)12-14-5-4-13-11-15(18)6-7-17(13)14/h2-3,6-7,10-11,14H,4-5,8-9,12H2,1H3.
What are the key properties of N-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine?
N-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine has a molecular weight of 289.42 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 54241547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).