5-fluoro-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine

C14H20FNS — CID 83048948

IUPAC5-fluoro-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCCNC1c2cc(F)ccc2SC1CCC
InChIInChI=1S/C14H20FNS/c1-3-5-13-14(16-8-4-2)11-9-10(15)6-7-12(11)17-13/h6-7,9,13-14,16H,3-5,8H2,1-2H3
InChIKeyQXBUZGQZLLDAMK-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.14
Rot. Bonds5

About 5-fluoro-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine

5-fluoro-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 83048948) has the molecular formula C14H20FNS and a molecular weight of 253.39 g/mol. Its IUPAC name is 5-fluoro-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound Name5-fluoro-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID83048948
Molecular FormulaC14H20FNS
Molecular Weight253.39 g/mol
Exact Mass253.13
IUPAC Name5-fluoro-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCCNC1c2cc(F)ccc2SC1CCC
InChIInChI=1S/C14H20FNS/c1-3-5-13-14(16-8-4-2)11-9-10(15)6-7-12(11)17-13/h6-7,9,13-14,16H,3-5,8H2,1-2H3
InChIKeyQXBUZGQZLLDAMK-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzothiophen-3-amine
CID 64662839
2-ethyl-5-methoxy-N-propyl-2,3-dihydro-1-benzothiophen-3-amine
CID 64661833
5-chloro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine
CID 83048835
N-ethyl-5,7-difluoro-2-propyl-2,3-dihydro-1-benzothiophen-3-amine
CID 83049043
4-fluoro-N-propylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
CID 165459054
7-fluoro-3-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114834283
2-(2,5-difluorophenyl)-N-propylcyclopentan-1-amine
CID 62801737
5-bromo-6-fluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049037
7-bromo-2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 64661426
N-ethyl-5-fluoro-1,1-dioxo-2-propyl-2,3-dihydro-1-benzothiophen-3-amine
CID 83049635
N-ethyl-5,7-dimethyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine
CID 83049138
7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine
CID 83049418

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of 5-fluoro-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine (CID 83048948) is 5-fluoro-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for 5-fluoro-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for 5-fluoro-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine is CCCNC1c2cc(F)ccc2SC1CCC.
What is the InChIKey of 5-fluoro-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is QXBUZGQZLLDAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNS/c1-3-5-13-14(16-8-4-2)11-9-10(15)6-7-12(11)17-13/h6-7,9,13-14,16H,3-5,8H2,1-2H3.
What are the key properties of 5-fluoro-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine?
5-fluoro-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 253.39 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,2-dipropyl-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 83048948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).