1-(2-amino-3-pyridinyl)-3-ethoxybutan-2-ol

C11H18N2O2 — CID 64541569

IUPAC1-(2-amino-3-pyridinyl)-3-ethoxybutan-2-ol
SMILESCCOC(C)C(O)Cc1cccnc1N
InChIInChI=1S/C11H18N2O2/c1-3-15-8(2)10(14)7-9-5-4-6-13-11(9)12/h4-6,8,10,14H,3,7H2,1-2H3,(H2,12,13)
InChIKeyTYJBXDCUUKYCRP-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.99
Rot. Bonds5

About 1-(2-amino-3-pyridinyl)-3-ethoxybutan-2-ol

1-(2-amino-3-pyridinyl)-3-ethoxybutan-2-ol (PubChem CID 64541569) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(2-amino-3-pyridinyl)-3-ethoxybutan-2-ol.

Molecular Properties

Compound Name1-(2-amino-3-pyridinyl)-3-ethoxybutan-2-ol
PubChem CID64541569
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(2-amino-3-pyridinyl)-3-ethoxybutan-2-ol
SMILESCCOC(C)C(O)Cc1cccnc1N
InChIInChI=1S/C11H18N2O2/c1-3-15-8(2)10(14)7-9-5-4-6-13-11(9)12/h4-6,8,10,14H,3,7H2,1-2H3,(H2,12,13)
InChIKeyTYJBXDCUUKYCRP-UHFFFAOYSA-N
XLogP0.99
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylpropyl)pyridin-2-amine
CID 20771927
3-ethoxy-1-(2-methylphenyl)butan-2-ol
CID 64541141
7-(2-amino-3-pyridinyl)-4-methyl-6-phenylheptan-3-ol
CID 70384868
1-(2,6-difluorophenyl)-3-ethoxybutan-2-ol
CID 114931509
5-(2-amino-3-pyridinyl)-4,4-dimethylpentan-2-ol
CID 64718318
3-[3-methoxy-2-(methylamino)hexyl]pyridin-2-amine
CID 116718922
3-[2-methyl-3-(methylamino)propyl]pyridin-2-amine
CID 64664973
3-ethoxy-1-(4-ethylphenyl)butan-2-ol
CID 64541532
3-(3-aminopentyl)pyridin-2-amine
CID 64505573
1-(2-amino-3-pyridinyl)-2-ethoxy-3,3-dimethylbutan-1-ol
CID 116713305
3-ethoxy-1-(4-fluoro-2-methylphenyl)butan-2-ol
CID 114347450
3,3-difluoroprop-1-ene;3-(2-methylpropyl)pyridin-2-amine
CID 176663812

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-pyridinyl)-3-ethoxybutan-2-ol?
The IUPAC name of 1-(2-amino-3-pyridinyl)-3-ethoxybutan-2-ol (CID 64541569) is 1-(2-amino-3-pyridinyl)-3-ethoxybutan-2-ol.
What is the SMILES notation for 1-(2-amino-3-pyridinyl)-3-ethoxybutan-2-ol?
The canonical SMILES for 1-(2-amino-3-pyridinyl)-3-ethoxybutan-2-ol is CCOC(C)C(O)Cc1cccnc1N.
What is the InChIKey of 1-(2-amino-3-pyridinyl)-3-ethoxybutan-2-ol?
The InChIKey is TYJBXDCUUKYCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-15-8(2)10(14)7-9-5-4-6-13-11(9)12/h4-6,8,10,14H,3,7H2,1-2H3,(H2,12,13).
What are the key properties of 1-(2-amino-3-pyridinyl)-3-ethoxybutan-2-ol?
1-(2-amino-3-pyridinyl)-3-ethoxybutan-2-ol has a molecular weight of 210.28 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-pyridinyl)-3-ethoxybutan-2-ol is sourced from PubChem (CID 64541569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).