tert-butyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoate

C19H27F2NO2 — CID 146156902

IUPACtert-butyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoate
SMILESCCCC(NC1CCc2cc(F)cc(F)c2C1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H27F2NO2/c1-5-6-17(18(23)24-19(2,3)4)22-14-8-7-12-9-13(20)10-16(21)15(12)11-14/h9-10,14,17,22H,5-8,11H2,1-4H3
InChIKeyANZJEBIOQWYXTB-UHFFFAOYSA-N
MW339.43 g/mol
LogP3.92
Rot. Bonds5

About tert-butyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoate

tert-butyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoate (PubChem CID 146156902) has the molecular formula C19H27F2NO2 and a molecular weight of 339.43 g/mol. Its IUPAC name is tert-butyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoate.

Molecular Properties

Compound Nametert-butyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoate
PubChem CID146156902
Molecular FormulaC19H27F2NO2
Molecular Weight339.43 g/mol
Exact Mass339.20
IUPAC Nametert-butyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoate
SMILESCCCC(NC1CCc2cc(F)cc(F)c2C1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H27F2NO2/c1-5-6-17(18(23)24-19(2,3)4)22-14-8-7-12-9-13(20)10-16(21)15(12)11-14/h9-10,14,17,22H,5-8,11H2,1-4H3
InChIKeyANZJEBIOQWYXTB-UHFFFAOYSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoate
CID 125301503
methyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoate
CID 67164327
2-[[(2S)-8-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid
CID 175560691
(2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]pyrrol-3-yl]pentanamide
CID 164966295
2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide
CID 138678638
tert-butyl 2-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]amino]pentanoate
CID 75458101
tert-butyl (2S)-2-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]amino]pentanoate
CID 97308630
(2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide
CID 54585774
(2S)-N-[3-[1-[(3,4-difluorophenyl)methylamino]-2-methyl-1-oxopropan-2-yl]-1,2-dihydroimidazol-5-yl]-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanamide
CID 143428238
(2S)-N-[1-[1-[(2-chloro-2-iodopropyl)amino]-2-methylpropan-2-yl]imidazol-4-yl]-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanamide
CID 163867864
N-[1-[1-[(3S)-3-[acetyl(methyl)amino]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]imidazol-4-yl]-2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanamide
CID 90826554
(2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[2-(3-methoxypropylamino)ethyl]imidazol-4-yl]pentanamide
CID 59429509

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoate?
The IUPAC name of tert-butyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoate (CID 146156902) is tert-butyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoate.
What is the SMILES notation for tert-butyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoate?
The canonical SMILES for tert-butyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoate is CCCC(NC1CCc2cc(F)cc(F)c2C1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoate?
The InChIKey is ANZJEBIOQWYXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2NO2/c1-5-6-17(18(23)24-19(2,3)4)22-14-8-7-12-9-13(20)10-16(21)15(12)11-14/h9-10,14,17,22H,5-8,11H2,1-4H3.
What are the key properties of tert-butyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoate?
tert-butyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoate has a molecular weight of 339.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoate is sourced from PubChem (CID 146156902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).