1-(2,6-dichloroanilino)-3-morpholin-4-ylpropan-2-ol

C13H18Cl2N2O2 — CID 65468625

IUPAC1-(2,6-dichloroanilino)-3-morpholin-4-ylpropan-2-ol
SMILESOC(CNc1c(Cl)cccc1Cl)CN1CCOCC1
InChIInChI=1S/C13H18Cl2N2O2/c14-11-2-1-3-12(15)13(11)16-8-10(18)9-17-4-6-19-7-5-17/h1-3,10,16,18H,4-9H2
InChIKeyJXPYKTQFGLZPIJ-UHFFFAOYSA-N
MW305.20 g/mol
LogP2.10
Rot. Bonds5

About 1-(2,6-dichloroanilino)-3-morpholin-4-ylpropan-2-ol

1-(2,6-dichloroanilino)-3-morpholin-4-ylpropan-2-ol (PubChem CID 65468625) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.20 g/mol. Its IUPAC name is 1-(2,6-dichloroanilino)-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2,6-dichloroanilino)-3-morpholin-4-ylpropan-2-ol
PubChem CID65468625
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20 g/mol
Exact Mass304.07
IUPAC Name1-(2,6-dichloroanilino)-3-morpholin-4-ylpropan-2-ol
SMILESOC(CNc1c(Cl)cccc1Cl)CN1CCOCC1
InChIInChI=1S/C13H18Cl2N2O2/c14-11-2-1-3-12(15)13(11)16-8-10(18)9-17-4-6-19-7-5-17/h1-3,10,16,18H,4-9H2
InChIKeyJXPYKTQFGLZPIJ-UHFFFAOYSA-N
XLogP2.10
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 60898557
(2S)-1-(4-chloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 92856830
2-(2,6-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)acetamide
CID 110880574
1-[(6-methyl-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 10966962
1-(4-fluoroanilino)-3-morpholin-4-ylpropan-2-ol
CID 60896474
1-morpholin-4-yl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 60897292
1-morpholin-4-yl-3-(2,3,4-trifluoroanilino)propan-2-ol
CID 60896358
(2S)-1-(2-chlorophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 34207051
1-morpholin-4-yl-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898999
1-morpholin-4-yl-3-(morpholin-4-ylamino)propan-2-ol
CID 83022230
2-(2-chlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide
CID 110887213
1-chloro-3-morpholin-4-ylpropan-2-ol
CID 10080987

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloroanilino)-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-(2,6-dichloroanilino)-3-morpholin-4-ylpropan-2-ol (CID 65468625) is 1-(2,6-dichloroanilino)-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(2,6-dichloroanilino)-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-(2,6-dichloroanilino)-3-morpholin-4-ylpropan-2-ol is OC(CNc1c(Cl)cccc1Cl)CN1CCOCC1.
What is the InChIKey of 1-(2,6-dichloroanilino)-3-morpholin-4-ylpropan-2-ol?
The InChIKey is JXPYKTQFGLZPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2/c14-11-2-1-3-12(15)13(11)16-8-10(18)9-17-4-6-19-7-5-17/h1-3,10,16,18H,4-9H2.
What are the key properties of 1-(2,6-dichloroanilino)-3-morpholin-4-ylpropan-2-ol?
1-(2,6-dichloroanilino)-3-morpholin-4-ylpropan-2-ol has a molecular weight of 305.20 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloroanilino)-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 65468625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).