(2S)-1-(tert-butylamino)-2-(6-ethoxy-2-pyridinyl)propan-2-ol

C14H24N2O2 — CID 170592947

IUPAC(2S)-1-(tert-butylamino)-2-(6-ethoxy-2-pyridinyl)propan-2-ol
SMILESCCOc1cccc([C@@](C)(O)CNC(C)(C)C)n1
InChIInChI=1S/C14H24N2O2/c1-6-18-12-9-7-8-11(16-12)14(5,17)10-15-13(2,3)4/h7-9,15,17H,6,10H2,1-5H3/t14-/m0/s1
InChIKeyJCPYXKSQAYSGDC-AWEZNQCLSA-N
MW252.36 g/mol
LogP2.08
Rot. Bonds5

About (2S)-1-(tert-butylamino)-2-(6-ethoxy-2-pyridinyl)propan-2-ol

(2S)-1-(tert-butylamino)-2-(6-ethoxy-2-pyridinyl)propan-2-ol (PubChem CID 170592947) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (2S)-1-(tert-butylamino)-2-(6-ethoxy-2-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(tert-butylamino)-2-(6-ethoxy-2-pyridinyl)propan-2-ol
PubChem CID170592947
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(2S)-1-(tert-butylamino)-2-(6-ethoxy-2-pyridinyl)propan-2-ol
SMILESCCOc1cccc([C@@](C)(O)CNC(C)(C)C)n1
InChIInChI=1S/C14H24N2O2/c1-6-18-12-9-7-8-11(16-12)14(5,17)10-15-13(2,3)4/h7-9,15,17H,6,10H2,1-5H3/t14-/m0/s1
InChIKeyJCPYXKSQAYSGDC-AWEZNQCLSA-N
XLogP2.08
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(tert-butylamino)-2-(4-ethoxyphenyl)propan-2-ol
CID 62773212
2-(tert-butylamino)-1-[6-(ethylamino)-2-pyridinyl]ethane-1,1-diol
CID 155154325
6-ethoxy-N-(2-methoxy-2-methylpropyl)pyridin-2-amine
CID 104762565
1-(tert-butylamino)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 83129340
1-[(6-ethoxy-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol
CID 79390183
1-(tert-butylamino)-2-naphthalen-1-ylpropan-2-ol
CID 62774382
2-methyl-N-[(6-propoxy-2-pyridinyl)methyl]propan-2-amine
CID 62292233
2-ethoxy-6-ethylpyridine
CID 58662042
2-(tert-butylamino)-1-(6-propan-2-yl-2-pyridinyl)ethane-1,1-diol
CID 156508537
N-[1-(6-ethoxy-2-pyridinyl)ethylidene]hydroxylamine
CID 142476631
3-[(6-ethoxy-2-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol
CID 114093691
2-[(6-ethoxy-2-pyridinyl)amino]-2-phenylpropan-1-ol
CID 105058536

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(tert-butylamino)-2-(6-ethoxy-2-pyridinyl)propan-2-ol?
The IUPAC name of (2S)-1-(tert-butylamino)-2-(6-ethoxy-2-pyridinyl)propan-2-ol (CID 170592947) is (2S)-1-(tert-butylamino)-2-(6-ethoxy-2-pyridinyl)propan-2-ol.
What is the SMILES notation for (2S)-1-(tert-butylamino)-2-(6-ethoxy-2-pyridinyl)propan-2-ol?
The canonical SMILES for (2S)-1-(tert-butylamino)-2-(6-ethoxy-2-pyridinyl)propan-2-ol is CCOc1cccc([C@@](C)(O)CNC(C)(C)C)n1.
What is the InChIKey of (2S)-1-(tert-butylamino)-2-(6-ethoxy-2-pyridinyl)propan-2-ol?
The InChIKey is JCPYXKSQAYSGDC-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-6-18-12-9-7-8-11(16-12)14(5,17)10-15-13(2,3)4/h7-9,15,17H,6,10H2,1-5H3/t14-/m0/s1.
What are the key properties of (2S)-1-(tert-butylamino)-2-(6-ethoxy-2-pyridinyl)propan-2-ol?
(2S)-1-(tert-butylamino)-2-(6-ethoxy-2-pyridinyl)propan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(tert-butylamino)-2-(6-ethoxy-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 170592947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).