1-(propan-2-ylamino)-3-pyridin-4-yloxypropan-2-ol

C11H18N2O2 — CID 71452309

IUPAC1-(propan-2-ylamino)-3-pyridin-4-yloxypropan-2-ol
SMILESCC(C)NCC(O)COc1ccncc1
InChIInChI=1S/C11H18N2O2/c1-9(2)13-7-10(14)8-15-11-3-5-12-6-4-11/h3-6,9-10,13-14H,7-8H2,1-2H3
InChIKeyDUGVYNWQMLQORK-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.82
Rot. Bonds6

About 1-(propan-2-ylamino)-3-pyridin-4-yloxypropan-2-ol

1-(propan-2-ylamino)-3-pyridin-4-yloxypropan-2-ol (PubChem CID 71452309) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-pyridin-4-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-pyridin-4-yloxypropan-2-ol
PubChem CID71452309
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(propan-2-ylamino)-3-pyridin-4-yloxypropan-2-ol
SMILESCC(C)NCC(O)COc1ccncc1
InChIInChI=1S/C11H18N2O2/c1-9(2)13-7-10(14)8-15-11-3-5-12-6-4-11/h3-6,9-10,13-14H,7-8H2,1-2H3
InChIKeyDUGVYNWQMLQORK-UHFFFAOYSA-N
XLogP0.82
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-pyridin-4-yloxypropan-2-ol?
The IUPAC name of 1-(propan-2-ylamino)-3-pyridin-4-yloxypropan-2-ol (CID 71452309) is 1-(propan-2-ylamino)-3-pyridin-4-yloxypropan-2-ol.
What is the SMILES notation for 1-(propan-2-ylamino)-3-pyridin-4-yloxypropan-2-ol?
The canonical SMILES for 1-(propan-2-ylamino)-3-pyridin-4-yloxypropan-2-ol is CC(C)NCC(O)COc1ccncc1.
What is the InChIKey of 1-(propan-2-ylamino)-3-pyridin-4-yloxypropan-2-ol?
The InChIKey is DUGVYNWQMLQORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9(2)13-7-10(14)8-15-11-3-5-12-6-4-11/h3-6,9-10,13-14H,7-8H2,1-2H3.
What are the key properties of 1-(propan-2-ylamino)-3-pyridin-4-yloxypropan-2-ol?
1-(propan-2-ylamino)-3-pyridin-4-yloxypropan-2-ol has a molecular weight of 210.28 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-3-pyridin-4-yloxypropan-2-ol is sourced from PubChem (CID 71452309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).