(2R)-1-butoxy-3-(pyridin-2-ylamino)propan-2-ol

C12H20N2O2 — CID 638982

IUPAC(2R)-1-butoxy-3-(pyridin-2-ylamino)propan-2-ol
SMILESCCCCOC[C@H](O)CNc1ccccn1
InChIInChI=1S/C12H20N2O2/c1-2-3-8-16-10-11(15)9-14-12-6-4-5-7-13-12/h4-7,11,15H,2-3,8-10H2,1H3,(H,13,14)/t11-/m1/s1
InChIKeyDVHYNGNJFKVMDA-LLVKDONJSA-N
MW224.30 g/mol
LogP1.67
Rot. Bonds8

About (2R)-1-butoxy-3-(pyridin-2-ylamino)propan-2-ol

(2R)-1-butoxy-3-(pyridin-2-ylamino)propan-2-ol (PubChem CID 638982) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is (2R)-1-butoxy-3-(pyridin-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-butoxy-3-(pyridin-2-ylamino)propan-2-ol
PubChem CID638982
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name(2R)-1-butoxy-3-(pyridin-2-ylamino)propan-2-ol
SMILESCCCCOC[C@H](O)CNc1ccccn1
InChIInChI=1S/C12H20N2O2/c1-2-3-8-16-10-11(15)9-14-12-6-4-5-7-13-12/h4-7,11,15H,2-3,8-10H2,1H3,(H,13,14)/t11-/m1/s1
InChIKeyDVHYNGNJFKVMDA-LLVKDONJSA-N
XLogP1.67
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butoxy-3-[2-[(3-butoxy-2-hydroxypropyl)amino]anilino]propan-2-ol
CID 155231393
N-(3-butoxypropyl)pyridin-2-amine
CID 115569614
1-hexoxy-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633804
(2S)-1-(4-phenylphenoxy)-3-(pyridin-2-ylamino)propan-2-ol
CID 51567729
1-butoxy-3-[2-(2-methoxyethyl)anilino]propan-2-ol
CID 107263153
1-octadecoxy-3-pyridin-2-yloxypropan-2-ol
CID 71323407
1-[4-[(2-hydroxy-3-tricosoxypropyl)amino]anilino]-3-tricosoxypropan-2-ol
CID 155231485
1-(2-fluoroanilino)-3-hexoxypropan-2-ol
CID 60898941
N-butylpyridin-2-amine
CID 14322668
(2R)-1-butoxy-3-phenoxypropan-2-ol
CID 36688222
2,3-bis[(3-decoxy-2-hydroxypropyl)amino]phenol
CID 155231458
1-butoxy-3-(3-phenylpropylamino)propan-2-ol
CID 107262604

Frequently Asked Questions

What is the IUPAC name of (2R)-1-butoxy-3-(pyridin-2-ylamino)propan-2-ol?
The IUPAC name of (2R)-1-butoxy-3-(pyridin-2-ylamino)propan-2-ol (CID 638982) is (2R)-1-butoxy-3-(pyridin-2-ylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-butoxy-3-(pyridin-2-ylamino)propan-2-ol?
The canonical SMILES for (2R)-1-butoxy-3-(pyridin-2-ylamino)propan-2-ol is CCCCOC[C@H](O)CNc1ccccn1.
What is the InChIKey of (2R)-1-butoxy-3-(pyridin-2-ylamino)propan-2-ol?
The InChIKey is DVHYNGNJFKVMDA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-3-8-16-10-11(15)9-14-12-6-4-5-7-13-12/h4-7,11,15H,2-3,8-10H2,1H3,(H,13,14)/t11-/m1/s1.
What are the key properties of (2R)-1-butoxy-3-(pyridin-2-ylamino)propan-2-ol?
(2R)-1-butoxy-3-(pyridin-2-ylamino)propan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-butoxy-3-(pyridin-2-ylamino)propan-2-ol is sourced from PubChem (CID 638982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).