1-[3-(aminomethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol

C14H22N2O3 — CID 43253326

IUPAC1-[3-(aminomethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESNCc1cccc(OCC(O)CN2CCOCC2)c1
InChIInChI=1S/C14H22N2O3/c15-9-12-2-1-3-14(8-12)19-11-13(17)10-16-4-6-18-7-5-16/h1-3,8,13,17H,4-7,9-11,15H2
InChIKeyPCUJTMXVUDARLZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.22
Rot. Bonds6

About 1-[3-(aminomethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol

1-[3-(aminomethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol (PubChem CID 43253326) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
PubChem CID43253326
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[3-(aminomethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESNCc1cccc(OCC(O)CN2CCOCC2)c1
InChIInChI=1S/C14H22N2O3/c15-9-12-2-1-3-14(8-12)19-11-13(17)10-16-4-6-18-7-5-16/h1-3,8,13,17H,4-7,9-11,15H2
InChIKeyPCUJTMXVUDARLZ-UHFFFAOYSA-N
XLogP0.22
TPSA67.95 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 ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-methyl-3-morpholin-4-ylpropoxy)phenyl]methanamine
CID 82037292
(2S)-1-[3-(1,3-dihydroisoindol-2-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 97271303
1-(azepan-1-yl)-3-[3-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol
CID 72839922
1-(3-methoxyphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 2770236
1-[3-(aminomethyl)phenoxy]-3-(3-ethylmorpholin-4-yl)propan-2-ol
CID 43611818
1-morpholin-4-yl-3-(3-propan-2-ylphenoxy)propan-2-ol
CID 110877512
1-[3-(aminomethyl)phenoxy]-3-(3-methylpyrrolidin-1-yl)propan-2-ol
CID 61221833
1-morpholin-4-yl-3-[3-[(3-phenylpropylamino)methyl]phenoxy]propan-2-ol
CID 45204618
1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 72859174
(2R)-1-[3-[[(4-methylsulfanylphenyl)methylamino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 30851994
1-(azepan-1-yl)-3-[3-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenoxy]propan-2-ol
CID 45207449
ethyl 3-(2-hydroxy-3-morpholin-4-ylpropoxy)benzoate
CID 17393188

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[3-(aminomethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol (CID 43253326) is 1-[3-(aminomethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[3-(aminomethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[3-(aminomethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol is NCc1cccc(OCC(O)CN2CCOCC2)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is PCUJTMXVUDARLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c15-9-12-2-1-3-14(8-12)19-11-13(17)10-16-4-6-18-7-5-16/h1-3,8,13,17H,4-7,9-11,15H2.
What are the key properties of 1-[3-(aminomethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol?
1-[3-(aminomethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 266.34 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 43253326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).