2-(tert-butylamino)-1-(3-chloro-2-pyridinyl)ethanol

C11H17ClN2O — CID 138472942

IUPAC2-(tert-butylamino)-1-(3-chloro-2-pyridinyl)ethanol
SMILESCC(C)(C)NCC(O)c1ncccc1Cl
InChIInChI=1S/C11H17ClN2O/c1-11(2,3)14-7-9(15)10-8(12)5-4-6-13-10/h4-6,9,14-15H,7H2,1-3H3
InChIKeyNOKBSXAUOZHETJ-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.16
Rot. Bonds3

About 2-(tert-butylamino)-1-(3-chloro-2-pyridinyl)ethanol

2-(tert-butylamino)-1-(3-chloro-2-pyridinyl)ethanol (PubChem CID 138472942) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(3-chloro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(3-chloro-2-pyridinyl)ethanol
PubChem CID138472942
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name2-(tert-butylamino)-1-(3-chloro-2-pyridinyl)ethanol
SMILESCC(C)(C)NCC(O)c1ncccc1Cl
InChIInChI=1S/C11H17ClN2O/c1-11(2,3)14-7-9(15)10-8(12)5-4-6-13-10/h4-6,9,14-15H,7H2,1-3H3
InChIKeyNOKBSXAUOZHETJ-UHFFFAOYSA-N
XLogP2.16
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-(tert-butylamino)-1-isoquinolin-1-ylethanol
CID 155154320
(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686
(1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride
CID 45357807
2-(tert-butylamino)-1-(3-methoxypyrazin-2-yl)ethanol
CID 104516709
2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol
CID 174971213
1-(3-chloro-2-pyridinyl)-3-(methylamino)propane-1,2-diol
CID 171857436
(1R)-2-(tert-butylamino)-1-[2-(ethylamino)-3-pyridinyl]ethanol
CID 155153921
(1S)-2-(tert-butylamino)-1-(7-fluoroquinolin-8-yl)ethanol
CID 155461834
2-(tert-butylamino)-1-quinolin-6-ylethanol
CID 81221991
1-(3-chloro-2-pyridinyl)-2,2-dimethylpropan-1-amine
CID 103852479
1-(3-chloro-2-pyridinyl)-2-pyridin-3-ylethanol
CID 103443598
1-(3-chloro-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanol
CID 103443569

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(3-chloro-2-pyridinyl)ethanol?
The IUPAC name of 2-(tert-butylamino)-1-(3-chloro-2-pyridinyl)ethanol (CID 138472942) is 2-(tert-butylamino)-1-(3-chloro-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(tert-butylamino)-1-(3-chloro-2-pyridinyl)ethanol?
The canonical SMILES for 2-(tert-butylamino)-1-(3-chloro-2-pyridinyl)ethanol is CC(C)(C)NCC(O)c1ncccc1Cl.
What is the InChIKey of 2-(tert-butylamino)-1-(3-chloro-2-pyridinyl)ethanol?
The InChIKey is NOKBSXAUOZHETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-11(2,3)14-7-9(15)10-8(12)5-4-6-13-10/h4-6,9,14-15H,7H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-1-(3-chloro-2-pyridinyl)ethanol?
2-(tert-butylamino)-1-(3-chloro-2-pyridinyl)ethanol has a molecular weight of 228.72 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(3-chloro-2-pyridinyl)ethanol is sourced from PubChem (CID 138472942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).