1-(3-methylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol

C14H22N2O3 — CID 83021165

IUPAC1-(3-methylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
SMILESCc1cccc(OCC(O)CNN2CCOCC2)c1
InChIInChI=1S/C14H22N2O3/c1-12-3-2-4-14(9-12)19-11-13(17)10-15-16-5-7-18-8-6-16/h2-4,9,13,15,17H,5-8,10-11H2,1H3
InChIKeyXMQBWADOBICHPU-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.57
Rot. Bonds6

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

1-(3-methylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol (PubChem CID 83021165) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(3-methylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-methylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
PubChem CID83021165
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-(3-methylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
SMILESCc1cccc(OCC(O)CNN2CCOCC2)c1
InChIInChI=1S/C14H22N2O3/c1-12-3-2-4-14(9-12)19-11-13(17)10-15-16-5-7-18-8-6-16/h2-4,9,13,15,17H,5-8,10-11H2,1H3
InChIKeyXMQBWADOBICHPU-UHFFFAOYSA-N
XLogP0.57
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
CID 83020851
1-(morpholin-4-ylamino)-3-phenoxypropan-2-ol
CID 83021932
1-(2,4-dimethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
CID 83021283
1-(4-ethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
CID 83021074
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
(2S)-1-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 1119168
1-ethyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111315726
1-(3-ethylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol
CID 83019115
3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]oxolan-3-ol
CID 106100735
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]acetamide
CID 60902288
3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butan-1-ol
CID 83176233
1-(3-methylphenoxy)butan-2-ol
CID 13089920

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol?
The IUPAC name of 1-(3-methylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol (CID 83021165) is 1-(3-methylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol.
What is the SMILES notation for 1-(3-methylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol?
The canonical SMILES for 1-(3-methylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol is Cc1cccc(OCC(O)CNN2CCOCC2)c1.
What is the InChIKey of 1-(3-methylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol?
The InChIKey is XMQBWADOBICHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-12-3-2-4-14(9-12)19-11-13(17)10-15-16-5-7-18-8-6-16/h2-4,9,13,15,17H,5-8,10-11H2,1H3.
What are the key properties of 1-(3-methylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol?
1-(3-methylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol has a molecular weight of 266.34 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol is sourced from PubChem (CID 83021165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).