1-(2-chloroanilino)-3-morpholin-4-ylpropan-2-ol

C13H19ClN2O2 — CID 60898557

IUPAC1-(2-chloroanilino)-3-morpholin-4-ylpropan-2-ol
SMILESOC(CNc1ccccc1Cl)CN1CCOCC1
InChIInChI=1S/C13H19ClN2O2/c14-12-3-1-2-4-13(12)15-9-11(17)10-16-5-7-18-8-6-16/h1-4,11,15,17H,5-10H2
InChIKeyBSGBPBTXOMWQHE-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.45
Rot. Bonds5

About 1-(2-chloroanilino)-3-morpholin-4-ylpropan-2-ol

1-(2-chloroanilino)-3-morpholin-4-ylpropan-2-ol (PubChem CID 60898557) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-(2-chloroanilino)-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-chloroanilino)-3-morpholin-4-ylpropan-2-ol
PubChem CID60898557
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name1-(2-chloroanilino)-3-morpholin-4-ylpropan-2-ol
SMILESOC(CNc1ccccc1Cl)CN1CCOCC1
InChIInChI=1S/C13H19ClN2O2/c14-12-3-1-2-4-13(12)15-9-11(17)10-16-5-7-18-8-6-16/h1-4,11,15,17H,5-10H2
InChIKeyBSGBPBTXOMWQHE-UHFFFAOYSA-N
XLogP1.45
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dichloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 65468625
1-morpholin-4-yl-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898999
(2S)-1-(4-chloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 92856830
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
2-(2,6-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)acetamide
CID 110880574
(2S)-1-(2-chlorophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 34207051
1-(2-chloroanilino)-3-fluoropropan-2-ol
CID 130859302
1-(4-fluoroanilino)-3-morpholin-4-ylpropan-2-ol
CID 60896474
1-(2-ethylanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60901656
2-(2-chlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide
CID 110887213
4-bromo-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzonitrile
CID 107797947

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroanilino)-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-(2-chloroanilino)-3-morpholin-4-ylpropan-2-ol (CID 60898557) is 1-(2-chloroanilino)-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(2-chloroanilino)-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-(2-chloroanilino)-3-morpholin-4-ylpropan-2-ol is OC(CNc1ccccc1Cl)CN1CCOCC1.
What is the InChIKey of 1-(2-chloroanilino)-3-morpholin-4-ylpropan-2-ol?
The InChIKey is BSGBPBTXOMWQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c14-12-3-1-2-4-13(12)15-9-11(17)10-16-5-7-18-8-6-16/h1-4,11,15,17H,5-10H2.
What are the key properties of 1-(2-chloroanilino)-3-morpholin-4-ylpropan-2-ol?
1-(2-chloroanilino)-3-morpholin-4-ylpropan-2-ol has a molecular weight of 270.76 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroanilino)-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 60898557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).