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

C13H19ClN2O2 — CID 92856830

IUPAC(2S)-1-(4-chloroanilino)-3-morpholin-4-ylpropan-2-ol
SMILESO[C@@H](CNc1ccc(Cl)cc1)CN1CCOCC1
InChIInChI=1S/C13H19ClN2O2/c14-11-1-3-12(4-2-11)15-9-13(17)10-16-5-7-18-8-6-16/h1-4,13,15,17H,5-10H2/t13-/m0/s1
InChIKeyRGHGAOGQDSBDTB-ZDUSSCGKSA-N
MW270.76 g/mol
LogP1.45
Rot. Bonds5

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

(2S)-1-(4-chloroanilino)-3-morpholin-4-ylpropan-2-ol (PubChem CID 92856830) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is (2S)-1-(4-chloroanilino)-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-chloroanilino)-3-morpholin-4-ylpropan-2-ol
PubChem CID92856830
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name(2S)-1-(4-chloroanilino)-3-morpholin-4-ylpropan-2-ol
SMILESO[C@@H](CNc1ccc(Cl)cc1)CN1CCOCC1
InChIInChI=1S/C13H19ClN2O2/c14-11-1-3-12(4-2-11)15-9-13(17)10-16-5-7-18-8-6-16/h1-4,13,15,17H,5-10H2/t13-/m0/s1
InChIKeyRGHGAOGQDSBDTB-ZDUSSCGKSA-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-(4-fluoroanilino)-3-morpholin-4-ylpropan-2-ol
CID 60896474
1-(2,6-dichloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 65468625
1-morpholin-4-yl-3-(2,3,4-trifluoroanilino)propan-2-ol
CID 60896358
1-(2-chloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 60898557
1-(3-bromo-4-methylanilino)-3-morpholin-4-ylpropan-2-ol
CID 63333868
4-chloro-N-(2-morpholin-4-ylethyl)aniline
CID 28580807
2-(4-chlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)ethenesulfonamide
CID 71900151
N-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]-2-morpholin-4-ylacetamide
CID 168636902
3-(4-chloroanilino)propane-1,2-diol
CID 76891534
1-chloro-3-morpholin-4-ylpropan-2-ol
CID 10080987
(2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol
CID 7201085
5-(4-chlorophenyl)-2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1,2-oxazol-3-one
CID 22844236

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chloroanilino)-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2S)-1-(4-chloroanilino)-3-morpholin-4-ylpropan-2-ol (CID 92856830) is (2S)-1-(4-chloroanilino)-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-(4-chloroanilino)-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2S)-1-(4-chloroanilino)-3-morpholin-4-ylpropan-2-ol is O[C@@H](CNc1ccc(Cl)cc1)CN1CCOCC1.
What is the InChIKey of (2S)-1-(4-chloroanilino)-3-morpholin-4-ylpropan-2-ol?
The InChIKey is RGHGAOGQDSBDTB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c14-11-1-3-12(4-2-11)15-9-13(17)10-16-5-7-18-8-6-16/h1-4,13,15,17H,5-10H2/t13-/m0/s1.
What are the key properties of (2S)-1-(4-chloroanilino)-3-morpholin-4-ylpropan-2-ol?
(2S)-1-(4-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 (2S)-1-(4-chloroanilino)-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 92856830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).