1-[furo[3,2-c]pyridin-4-yl(methyl)amino]-2-methylpropan-2-ol

C12H16N2O2 — CID 84594980

IUPAC1-[furo[3,2-c]pyridin-4-yl(methyl)amino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1nccc2occc12
InChIInChI=1S/C12H16N2O2/c1-12(2,15)8-14(3)11-9-5-7-16-10(9)4-6-13-11/h4-7,15H,8H2,1-3H3
InChIKeyYXQAMHNLCMTUAJ-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.03
Rot. Bonds3

About 1-[furo[3,2-c]pyridin-4-yl(methyl)amino]-2-methylpropan-2-ol

1-[furo[3,2-c]pyridin-4-yl(methyl)amino]-2-methylpropan-2-ol (PubChem CID 84594980) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-[furo[3,2-c]pyridin-4-yl(methyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[furo[3,2-c]pyridin-4-yl(methyl)amino]-2-methylpropan-2-ol
PubChem CID84594980
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-[furo[3,2-c]pyridin-4-yl(methyl)amino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1nccc2occc12
InChIInChI=1S/C12H16N2O2/c1-12(2,15)8-14(3)11-9-5-7-16-10(9)4-6-13-11/h4-7,15H,8H2,1-3H3
InChIKeyYXQAMHNLCMTUAJ-UHFFFAOYSA-N
XLogP2.03
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[furo[3,2-c]pyridin-4-yl(methyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[furo[3,2-c]pyridin-4-yl(methyl)amino]-2-methylpropan-2-ol (CID 84594980) is 1-[furo[3,2-c]pyridin-4-yl(methyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[furo[3,2-c]pyridin-4-yl(methyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[furo[3,2-c]pyridin-4-yl(methyl)amino]-2-methylpropan-2-ol is CN(CC(C)(C)O)c1nccc2occc12.
What is the InChIKey of 1-[furo[3,2-c]pyridin-4-yl(methyl)amino]-2-methylpropan-2-ol?
The InChIKey is YXQAMHNLCMTUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(2,15)8-14(3)11-9-5-7-16-10(9)4-6-13-11/h4-7,15H,8H2,1-3H3.
What are the key properties of 1-[furo[3,2-c]pyridin-4-yl(methyl)amino]-2-methylpropan-2-ol?
1-[furo[3,2-c]pyridin-4-yl(methyl)amino]-2-methylpropan-2-ol has a molecular weight of 220.27 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[furo[3,2-c]pyridin-4-yl(methyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 84594980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).