1-(3,3-difluorocyclopentyl)-N-methyl-3-thiophen-2-ylpropan-1-amine

C13H19F2NS — CID 114216221

IUPAC1-(3,3-difluorocyclopentyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNC(CCc1cccs1)C1CCC(F)(F)C1
InChIInChI=1S/C13H19F2NS/c1-16-12(5-4-11-3-2-8-17-11)10-6-7-13(14,15)9-10/h2-3,8,10,12,16H,4-7,9H2,1H3
InChIKeyPROKWNUWBSMDIA-UHFFFAOYSA-N
MW259.36 g/mol
LogP3.70
Rot. Bonds5

About 1-(3,3-difluorocyclopentyl)-N-methyl-3-thiophen-2-ylpropan-1-amine

1-(3,3-difluorocyclopentyl)-N-methyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 114216221) has the molecular formula C13H19F2NS and a molecular weight of 259.36 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)-N-methyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
PubChem CID114216221
Molecular FormulaC13H19F2NS
Molecular Weight259.36 g/mol
Exact Mass259.12
IUPAC Name1-(3,3-difluorocyclopentyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNC(CCc1cccs1)C1CCC(F)(F)C1
InChIInChI=1S/C13H19F2NS/c1-16-12(5-4-11-3-2-8-17-11)10-6-7-13(14,15)9-10/h2-3,8,10,12,16H,4-7,9H2,1H3
InChIKeyPROKWNUWBSMDIA-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine
CID 55236906
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115860737
N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 65404001
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105170350
N-methyl-1-(2-methylcyclopentyl)-3-thiophen-2-ylpropan-1-amine
CID 107188935
(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 42077642
(1-cyclohexyl-3-thiophen-2-ylpropyl)hydrazine
CID 105201759
1-(3,4-dimethylcyclohexyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105154540
1-cyclobutyl-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 103168696
2-cyclopentyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 112569967
(1R)-1-cyclopentyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 81395803
N,4-dimethyl-6-thiophen-2-ylhexan-2-amine
CID 64720964

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(3,3-difluorocyclopentyl)-N-methyl-3-thiophen-2-ylpropan-1-amine (CID 114216221) is 1-(3,3-difluorocyclopentyl)-N-methyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)-N-methyl-3-thiophen-2-ylpropan-1-amine is CNC(CCc1cccs1)C1CCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is PROKWNUWBSMDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NS/c1-16-12(5-4-11-3-2-8-17-11)10-6-7-13(14,15)9-10/h2-3,8,10,12,16H,4-7,9H2,1H3.
What are the key properties of 1-(3,3-difluorocyclopentyl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
1-(3,3-difluorocyclopentyl)-N-methyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 259.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclopentyl)-N-methyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 114216221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).