(2R)-1-(2-chlorophenoxy)-3-[(5-chloro-2-pyridinyl)amino]propan-2-ol

C14H14Cl2N2O2 — CID 51699355

IUPAC(2R)-1-(2-chlorophenoxy)-3-[(5-chloro-2-pyridinyl)amino]propan-2-ol
SMILESO[C@H](CNc1ccc(Cl)cn1)COc1ccccc1Cl
InChIInChI=1S/C14H14Cl2N2O2/c15-10-5-6-14(17-7-10)18-8-11(19)9-20-13-4-2-1-3-12(13)16/h1-7,11,19H,8-9H2,(H,17,18)/t11-/m1/s1
InChIKeyGHARKQPDFUPUNI-LLVKDONJSA-N
MW313.18 g/mol
LogP3.24
Rot. Bonds6

About (2R)-1-(2-chlorophenoxy)-3-[(5-chloro-2-pyridinyl)amino]propan-2-ol

(2R)-1-(2-chlorophenoxy)-3-[(5-chloro-2-pyridinyl)amino]propan-2-ol (PubChem CID 51699355) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is (2R)-1-(2-chlorophenoxy)-3-[(5-chloro-2-pyridinyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-chlorophenoxy)-3-[(5-chloro-2-pyridinyl)amino]propan-2-ol
PubChem CID51699355
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Name(2R)-1-(2-chlorophenoxy)-3-[(5-chloro-2-pyridinyl)amino]propan-2-ol
SMILESO[C@H](CNc1ccc(Cl)cn1)COc1ccccc1Cl
InChIInChI=1S/C14H14Cl2N2O2/c15-10-5-6-14(17-7-10)18-8-11(19)9-20-13-4-2-1-3-12(13)16/h1-7,11,19H,8-9H2,(H,17,18)/t11-/m1/s1
InChIKeyGHARKQPDFUPUNI-LLVKDONJSA-N
XLogP3.24
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenoxy)-3-(3,4-difluoroanilino)propan-2-ol
CID 60898768
1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol
CID 60898981
1-(3-chloro-5-fluoroanilino)-3-(2-chlorophenoxy)propan-2-ol
CID 107365030
1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol
CID 112768285
4-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]benzonitrile
CID 60901052
2-[(5-chloro-2-pyridinyl)amino]-1-(2-fluorophenyl)ethanol
CID 133351470
1-(2-chlorophenoxy)-3-[[1-[(6-hydrazinylpyridazin-3-yl)amino]-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
CID 13288296
1-(2-chlorophenoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61462609
1-(3-chloro-4-fluoroanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 83095315
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethylurea
CID 83121783
1-(3,4-dichloroanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60898108
1-(2,4-dichlorophenoxy)-3-(2-methylanilino)propan-2-ol
CID 60899964

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-chlorophenoxy)-3-[(5-chloro-2-pyridinyl)amino]propan-2-ol?
The IUPAC name of (2R)-1-(2-chlorophenoxy)-3-[(5-chloro-2-pyridinyl)amino]propan-2-ol (CID 51699355) is (2R)-1-(2-chlorophenoxy)-3-[(5-chloro-2-pyridinyl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-(2-chlorophenoxy)-3-[(5-chloro-2-pyridinyl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-(2-chlorophenoxy)-3-[(5-chloro-2-pyridinyl)amino]propan-2-ol is O[C@H](CNc1ccc(Cl)cn1)COc1ccccc1Cl.
What is the InChIKey of (2R)-1-(2-chlorophenoxy)-3-[(5-chloro-2-pyridinyl)amino]propan-2-ol?
The InChIKey is GHARKQPDFUPUNI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c15-10-5-6-14(17-7-10)18-8-11(19)9-20-13-4-2-1-3-12(13)16/h1-7,11,19H,8-9H2,(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-1-(2-chlorophenoxy)-3-[(5-chloro-2-pyridinyl)amino]propan-2-ol?
(2R)-1-(2-chlorophenoxy)-3-[(5-chloro-2-pyridinyl)amino]propan-2-ol has a molecular weight of 313.18 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-chlorophenoxy)-3-[(5-chloro-2-pyridinyl)amino]propan-2-ol is sourced from PubChem (CID 51699355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).