(1R)-2-(tert-butylamino)-1-(7-fluoro-1H-indazol-4-yl)ethanol;hydrochloride

C13H19ClFN3O — CID 165175425

IUPAC(1R)-2-(tert-butylamino)-1-(7-fluoro-1H-indazol-4-yl)ethanol;hydrochloride
SMILESCC(C)(C)NC[C@H](O)c1ccc(F)c2[nH]ncc12.Cl
InChIInChI=1S/C13H18FN3O.ClH/c1-13(2,3)15-7-11(18)8-4-5-10(14)12-9(8)6-16-17-12;/h4-6,11,15,18H,7H2,1-3H3,(H,16,17);1H/t11-;/m0./s1
InChIKeyYPTWOYVFDPVJLI-MERQFXBCSA-N
MW287.77 g/mol
LogP2.55
Rot. Bonds3

About (1R)-2-(tert-butylamino)-1-(7-fluoro-1H-indazol-4-yl)ethanol;hydrochloride

(1R)-2-(tert-butylamino)-1-(7-fluoro-1H-indazol-4-yl)ethanol;hydrochloride (PubChem CID 165175425) has the molecular formula C13H19ClFN3O and a molecular weight of 287.77 g/mol. Its IUPAC name is (1R)-2-(tert-butylamino)-1-(7-fluoro-1H-indazol-4-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name(1R)-2-(tert-butylamino)-1-(7-fluoro-1H-indazol-4-yl)ethanol;hydrochloride
PubChem CID165175425
Molecular FormulaC13H19ClFN3O
Molecular Weight287.77 g/mol
Exact Mass287.12
IUPAC Name(1R)-2-(tert-butylamino)-1-(7-fluoro-1H-indazol-4-yl)ethanol;hydrochloride
SMILESCC(C)(C)NC[C@H](O)c1ccc(F)c2[nH]ncc12.Cl
InChIInChI=1S/C13H18FN3O.ClH/c1-13(2,3)15-7-11(18)8-4-5-10(14)12-9(8)6-16-17-12;/h4-6,11,15,18H,7H2,1-3H3,(H,16,17);1H/t11-;/m0./s1
InChIKeyYPTWOYVFDPVJLI-MERQFXBCSA-N
XLogP2.55
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-(tert-butylamino)-1-(7-fluoro-1H-indazol-4-yl)ethanol;hydrochloride?
The IUPAC name of (1R)-2-(tert-butylamino)-1-(7-fluoro-1H-indazol-4-yl)ethanol;hydrochloride (CID 165175425) is (1R)-2-(tert-butylamino)-1-(7-fluoro-1H-indazol-4-yl)ethanol;hydrochloride.
What is the SMILES notation for (1R)-2-(tert-butylamino)-1-(7-fluoro-1H-indazol-4-yl)ethanol;hydrochloride?
The canonical SMILES for (1R)-2-(tert-butylamino)-1-(7-fluoro-1H-indazol-4-yl)ethanol;hydrochloride is CC(C)(C)NC[C@H](O)c1ccc(F)c2[nH]ncc12.Cl.
What is the InChIKey of (1R)-2-(tert-butylamino)-1-(7-fluoro-1H-indazol-4-yl)ethanol;hydrochloride?
The InChIKey is YPTWOYVFDPVJLI-MERQFXBCSA-N. The full InChI is InChI=1S/C13H18FN3O.ClH/c1-13(2,3)15-7-11(18)8-4-5-10(14)12-9(8)6-16-17-12;/h4-6,11,15,18H,7H2,1-3H3,(H,16,17);1H/t11-;/m0./s1.
What are the key properties of (1R)-2-(tert-butylamino)-1-(7-fluoro-1H-indazol-4-yl)ethanol;hydrochloride?
(1R)-2-(tert-butylamino)-1-(7-fluoro-1H-indazol-4-yl)ethanol;hydrochloride has a molecular weight of 287.77 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(tert-butylamino)-1-(7-fluoro-1H-indazol-4-yl)ethanol;hydrochloride is sourced from PubChem (CID 165175425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).