(1S)-2-(tert-butylamino)-1-(7-fluoroquinolin-8-yl)ethanol

C15H19FN2O — CID 155461834

IUPAC(1S)-2-(tert-butylamino)-1-(7-fluoroquinolin-8-yl)ethanol
SMILESCC(C)(C)NC[C@@H](O)c1c(F)ccc2cccnc12
InChIInChI=1S/C15H19FN2O/c1-15(2,3)18-9-12(19)13-11(16)7-6-10-5-4-8-17-14(10)13/h4-8,12,18-19H,9H2,1-3H3/t12-/m1/s1
InChIKeyYRCOTDMSEHMTSH-GFCCVEGCSA-N
MW262.33 g/mol
LogP2.80
Rot. Bonds3

About (1S)-2-(tert-butylamino)-1-(7-fluoroquinolin-8-yl)ethanol

(1S)-2-(tert-butylamino)-1-(7-fluoroquinolin-8-yl)ethanol (PubChem CID 155461834) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is (1S)-2-(tert-butylamino)-1-(7-fluoroquinolin-8-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-(tert-butylamino)-1-(7-fluoroquinolin-8-yl)ethanol
PubChem CID155461834
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name(1S)-2-(tert-butylamino)-1-(7-fluoroquinolin-8-yl)ethanol
SMILESCC(C)(C)NC[C@@H](O)c1c(F)ccc2cccnc12
InChIInChI=1S/C15H19FN2O/c1-15(2,3)18-9-12(19)13-11(16)7-6-10-5-4-8-17-14(10)13/h4-8,12,18-19H,9H2,1-3H3/t12-/m1/s1
InChIKeyYRCOTDMSEHMTSH-GFCCVEGCSA-N
XLogP2.80
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-(tert-butylamino)-1-(8-fluoroquinolin-2-yl)ethanol;sulfane
CID 167620692
2-(tert-butylamino)-1-(3-chloro-2-pyridinyl)ethanol
CID 138472942
(1S)-2-(tert-butylamino)-1-isoquinolin-1-ylethanol
CID 155154320
2-(tert-butylamino)-1-quinolin-6-ylethanol
CID 81221991
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
(1R)-2-(tert-butylamino)-1-[2-(ethylamino)-3-pyridinyl]ethanol
CID 155153921
3-[(7-methylquinolin-8-yl)amino]propane-1,2-diol
CID 168596036
1-(2,6-difluorophenyl)-N-methyl-1-quinolin-8-ylmethanamine
CID 81229518
2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol
CID 60900936
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
2-methyl-N-(2-quinolin-7-yloxypropyl)propan-2-amine
CID 107314978
N-tert-butyl-2-methyl-3-quinolin-7-ylbutan-1-amine
CID 81223626

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(tert-butylamino)-1-(7-fluoroquinolin-8-yl)ethanol?
The IUPAC name of (1S)-2-(tert-butylamino)-1-(7-fluoroquinolin-8-yl)ethanol (CID 155461834) is (1S)-2-(tert-butylamino)-1-(7-fluoroquinolin-8-yl)ethanol.
What is the SMILES notation for (1S)-2-(tert-butylamino)-1-(7-fluoroquinolin-8-yl)ethanol?
The canonical SMILES for (1S)-2-(tert-butylamino)-1-(7-fluoroquinolin-8-yl)ethanol is CC(C)(C)NC[C@@H](O)c1c(F)ccc2cccnc12.
What is the InChIKey of (1S)-2-(tert-butylamino)-1-(7-fluoroquinolin-8-yl)ethanol?
The InChIKey is YRCOTDMSEHMTSH-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-15(2,3)18-9-12(19)13-11(16)7-6-10-5-4-8-17-14(10)13/h4-8,12,18-19H,9H2,1-3H3/t12-/m1/s1.
What are the key properties of (1S)-2-(tert-butylamino)-1-(7-fluoroquinolin-8-yl)ethanol?
(1S)-2-(tert-butylamino)-1-(7-fluoroquinolin-8-yl)ethanol has a molecular weight of 262.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(tert-butylamino)-1-(7-fluoroquinolin-8-yl)ethanol is sourced from PubChem (CID 155461834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).