(1S)-1-(6-anilino-2-pyridinyl)-2-(tert-butylamino)ethanol

C17H23N3O — CID 155154323

IUPAC(1S)-1-(6-anilino-2-pyridinyl)-2-(tert-butylamino)ethanol
SMILESCC(C)(C)NC[C@H](O)c1cccc(Nc2ccccc2)n1
InChIInChI=1S/C17H23N3O/c1-17(2,3)18-12-15(21)14-10-7-11-16(20-14)19-13-8-5-4-6-9-13/h4-11,15,18,21H,12H2,1-3H3,(H,19,20)/t15-/m0/s1
InChIKeyWCCSDYCLZAUBJT-HNNXBMFYSA-N
MW285.39 g/mol
LogP3.25
Rot. Bonds5

About (1S)-1-(6-anilino-2-pyridinyl)-2-(tert-butylamino)ethanol

(1S)-1-(6-anilino-2-pyridinyl)-2-(tert-butylamino)ethanol (PubChem CID 155154323) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (1S)-1-(6-anilino-2-pyridinyl)-2-(tert-butylamino)ethanol.

Molecular Properties

Compound Name(1S)-1-(6-anilino-2-pyridinyl)-2-(tert-butylamino)ethanol
PubChem CID155154323
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(1S)-1-(6-anilino-2-pyridinyl)-2-(tert-butylamino)ethanol
SMILESCC(C)(C)NC[C@H](O)c1cccc(Nc2ccccc2)n1
InChIInChI=1S/C17H23N3O/c1-17(2,3)18-12-15(21)14-10-7-11-16(20-14)19-13-8-5-4-6-9-13/h4-11,15,18,21H,12H2,1-3H3,(H,19,20)/t15-/m0/s1
InChIKeyWCCSDYCLZAUBJT-HNNXBMFYSA-N
XLogP3.25
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-anilino-2-pyridinyl)-2-(tert-butylamino)ethanol?
The IUPAC name of (1S)-1-(6-anilino-2-pyridinyl)-2-(tert-butylamino)ethanol (CID 155154323) is (1S)-1-(6-anilino-2-pyridinyl)-2-(tert-butylamino)ethanol.
What is the SMILES notation for (1S)-1-(6-anilino-2-pyridinyl)-2-(tert-butylamino)ethanol?
The canonical SMILES for (1S)-1-(6-anilino-2-pyridinyl)-2-(tert-butylamino)ethanol is CC(C)(C)NC[C@H](O)c1cccc(Nc2ccccc2)n1.
What is the InChIKey of (1S)-1-(6-anilino-2-pyridinyl)-2-(tert-butylamino)ethanol?
The InChIKey is WCCSDYCLZAUBJT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-17(2,3)18-12-15(21)14-10-7-11-16(20-14)19-13-8-5-4-6-9-13/h4-11,15,18,21H,12H2,1-3H3,(H,19,20)/t15-/m0/s1.
What are the key properties of (1S)-1-(6-anilino-2-pyridinyl)-2-(tert-butylamino)ethanol?
(1S)-1-(6-anilino-2-pyridinyl)-2-(tert-butylamino)ethanol has a molecular weight of 285.39 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-anilino-2-pyridinyl)-2-(tert-butylamino)ethanol is sourced from PubChem (CID 155154323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).