1-(2,4-dimethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol

C15H24N2O3 — CID 83021283

IUPAC1-(2,4-dimethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
SMILESCc1ccc(OCC(O)CNN2CCOCC2)c(C)c1
InChIInChI=1S/C15H24N2O3/c1-12-3-4-15(13(2)9-12)20-11-14(18)10-16-17-5-7-19-8-6-17/h3-4,9,14,16,18H,5-8,10-11H2,1-2H3
InChIKeyFHOHDLGCFVDKJW-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.88
Rot. Bonds6

About 1-(2,4-dimethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol

1-(2,4-dimethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol (PubChem CID 83021283) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2,4-dimethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dimethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
PubChem CID83021283
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(2,4-dimethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
SMILESCc1ccc(OCC(O)CNN2CCOCC2)c(C)c1
InChIInChI=1S/C15H24N2O3/c1-12-3-4-15(13(2)9-12)20-11-14(18)10-16-17-5-7-19-8-6-17/h3-4,9,14,16,18H,5-8,10-11H2,1-2H3
InChIKeyFHOHDLGCFVDKJW-UHFFFAOYSA-N
XLogP0.88
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
CID 83021165
(2R)-1-(2,4-dimethylphenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 39767536
(2S)-1-(2,4-dimethylphenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 39767533
1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol
CID 16637006
1-(morpholin-4-ylamino)-3-phenoxypropan-2-ol
CID 83021932
1-(4-ethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
CID 83021074
1-(2-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol
CID 83014174
1-(3-ethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
CID 83020851
1-(2,4-dimethylphenoxy)-3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-2-ol
CID 81392115
(2R)-1-(2,4-dimethylphenoxy)-3-[[(2R)-1-(1-methylcyclopropyl)propan-2-yl]amino]propan-2-ol
CID 39818664
1-bromo-3-(2,4-dimethylphenoxy)propan-2-ol
CID 112560473
(2S)-1-(2,4-dimethylphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 7013004

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol?
The IUPAC name of 1-(2,4-dimethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol (CID 83021283) is 1-(2,4-dimethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2,4-dimethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol?
The canonical SMILES for 1-(2,4-dimethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol is Cc1ccc(OCC(O)CNN2CCOCC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol?
The InChIKey is FHOHDLGCFVDKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-12-3-4-15(13(2)9-12)20-11-14(18)10-16-17-5-7-19-8-6-17/h3-4,9,14,16,18H,5-8,10-11H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol?
1-(2,4-dimethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol has a molecular weight of 280.37 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol is sourced from PubChem (CID 83021283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).