(2S)-5-fluoro-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine

C20H26FNS — CID 10616521

IUPAC(2S)-5-fluoro-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)[C@H]1CCc2c(F)ccc(-c3cccs3)c2C1
InChIInChI=1S/C20H26FNS/c1-3-11-22(12-4-2)15-7-8-16-18(14-15)17(9-10-19(16)21)20-6-5-13-23-20/h5-6,9-10,13,15H,3-4,7-8,11-12,14H2,1-2H3/t15-/m0/s1
InChIKeyXQAPPINGDDOWEW-HNNXBMFYSA-N
MW331.50 g/mol
LogP5.53
Rot. Bonds6

About (2S)-5-fluoro-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine

(2S)-5-fluoro-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 10616521) has the molecular formula C20H26FNS and a molecular weight of 331.50 g/mol. Its IUPAC name is (2S)-5-fluoro-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S)-5-fluoro-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID10616521
Molecular FormulaC20H26FNS
Molecular Weight331.50 g/mol
Exact Mass331.18
IUPAC Name(2S)-5-fluoro-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)[C@H]1CCc2c(F)ccc(-c3cccs3)c2C1
InChIInChI=1S/C20H26FNS/c1-3-11-22(12-4-2)15-7-8-16-18(14-15)17(9-10-19(16)21)20-6-5-13-23-20/h5-6,9-10,13,15H,3-4,7-8,11-12,14H2,1-2H3/t15-/m0/s1
InChIKeyXQAPPINGDDOWEW-HNNXBMFYSA-N
XLogP5.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.50
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-fluoro-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S)-5-fluoro-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 10616521) is (2S)-5-fluoro-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S)-5-fluoro-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S)-5-fluoro-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCN(CCC)[C@H]1CCc2c(F)ccc(-c3cccs3)c2C1.
What is the InChIKey of (2S)-5-fluoro-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is XQAPPINGDDOWEW-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26FNS/c1-3-11-22(12-4-2)15-7-8-16-18(14-15)17(9-10-19(16)21)20-6-5-13-23-20/h5-6,9-10,13,15H,3-4,7-8,11-12,14H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-5-fluoro-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S)-5-fluoro-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 331.50 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-fluoro-N,N-dipropyl-8-thiophen-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 10616521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).