1-[3-(aminomethyl)phenoxy]-3-(3-ethylmorpholin-4-yl)propan-2-ol

C16H26N2O3 — CID 43611818

IUPAC1-[3-(aminomethyl)phenoxy]-3-(3-ethylmorpholin-4-yl)propan-2-ol
SMILESCCC1COCCN1CC(O)COc1cccc(CN)c1
InChIInChI=1S/C16H26N2O3/c1-2-14-11-20-7-6-18(14)10-15(19)12-21-16-5-3-4-13(8-16)9-17/h3-5,8,14-15,19H,2,6-7,9-12,17H2,1H3
InChIKeyHPYBBLCEWZWIJA-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.00
Rot. Bonds7

About 1-[3-(aminomethyl)phenoxy]-3-(3-ethylmorpholin-4-yl)propan-2-ol

1-[3-(aminomethyl)phenoxy]-3-(3-ethylmorpholin-4-yl)propan-2-ol (PubChem CID 43611818) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenoxy]-3-(3-ethylmorpholin-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenoxy]-3-(3-ethylmorpholin-4-yl)propan-2-ol
PubChem CID43611818
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-[3-(aminomethyl)phenoxy]-3-(3-ethylmorpholin-4-yl)propan-2-ol
SMILESCCC1COCCN1CC(O)COc1cccc(CN)c1
InChIInChI=1S/C16H26N2O3/c1-2-14-11-20-7-6-18(14)10-15(19)12-21-16-5-3-4-13(8-16)9-17/h3-5,8,14-15,19H,2,6-7,9-12,17H2,1H3
InChIKeyHPYBBLCEWZWIJA-UHFFFAOYSA-N
XLogP1.00
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethylmorpholin-4-yl)-3-naphthalen-2-yloxypropan-2-ol
CID 111382186
1-[3-(aminomethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 43253326
3-[2-hydroxy-3-(3-methylmorpholin-4-yl)propoxy]benzenecarbothioamide
CID 43542129
1-[3-(aminomethyl)phenoxy]-3-(3-methylpyrrolidin-1-yl)propan-2-ol
CID 61221833
[3-(2-methyl-3-morpholin-4-ylpropoxy)phenyl]methanamine
CID 82037292
1-[3-(aminomethyl)phenoxy]-3-(4-methylphenoxy)propan-2-ol
CID 43531526
1-(3-ethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
CID 83020851
(2S)-1-[3-(1,3-dihydroisoindol-2-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 97271303
1-[3-(aminomethyl)phenoxy]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
CID 43531447
3-[(3-ethylmorpholin-4-yl)methyl]aniline
CID 43611627
1-[3-(aminomethyl)phenoxy]-3-butoxypropan-2-ol
CID 43531638
methyl 3-[(2S)-3-[(2R)-2-ethylpiperidin-1-yl]-2-hydroxypropoxy]benzoate
CID 7998324

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenoxy]-3-(3-ethylmorpholin-4-yl)propan-2-ol?
The IUPAC name of 1-[3-(aminomethyl)phenoxy]-3-(3-ethylmorpholin-4-yl)propan-2-ol (CID 43611818) is 1-[3-(aminomethyl)phenoxy]-3-(3-ethylmorpholin-4-yl)propan-2-ol.
What is the SMILES notation for 1-[3-(aminomethyl)phenoxy]-3-(3-ethylmorpholin-4-yl)propan-2-ol?
The canonical SMILES for 1-[3-(aminomethyl)phenoxy]-3-(3-ethylmorpholin-4-yl)propan-2-ol is CCC1COCCN1CC(O)COc1cccc(CN)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenoxy]-3-(3-ethylmorpholin-4-yl)propan-2-ol?
The InChIKey is HPYBBLCEWZWIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-2-14-11-20-7-6-18(14)10-15(19)12-21-16-5-3-4-13(8-16)9-17/h3-5,8,14-15,19H,2,6-7,9-12,17H2,1H3.
What are the key properties of 1-[3-(aminomethyl)phenoxy]-3-(3-ethylmorpholin-4-yl)propan-2-ol?
1-[3-(aminomethyl)phenoxy]-3-(3-ethylmorpholin-4-yl)propan-2-ol has a molecular weight of 294.39 g/mol, XLogP of 1.00, 7 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-(3-ethylmorpholin-4-yl)propan-2-ol is sourced from PubChem (CID 43611818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).