[4-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-5-methylmorpholin-2-yl]methanol

C16H22N2O2 — CID 81218645

IUPAC[4-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1Cc1cccc(C#CCN)c1
InChIInChI=1S/C16H22N2O2/c1-13-12-20-16(11-19)10-18(13)9-15-5-2-4-14(8-15)6-3-7-17/h2,4-5,8,13,16,19H,7,9-12,17H2,1H3
InChIKeyJUOJSRHKNRYGEE-UHFFFAOYSA-N
MW274.36 g/mol
LogP0.58
Rot. Bonds3

About [4-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-5-methylmorpholin-2-yl]methanol

[4-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-5-methylmorpholin-2-yl]methanol (PubChem CID 81218645) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is [4-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-5-methylmorpholin-2-yl]methanol
PubChem CID81218645
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name[4-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1Cc1cccc(C#CCN)c1
InChIInChI=1S/C16H22N2O2/c1-13-12-20-16(11-19)10-18(13)9-15-5-2-4-14(8-15)6-3-7-17/h2,4-5,8,13,16,19H,7,9-12,17H2,1H3
InChIKeyJUOJSRHKNRYGEE-UHFFFAOYSA-N
XLogP0.58
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenyl]but-3-yn-1-ol
CID 81208031
3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzonitrile
CID 81203398
[4-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol
CID 81208434
[(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol
CID 124512761
[5-methyl-4-[(3-nitrophenyl)methyl]morpholin-2-yl]methanol
CID 81213298
[(2R,5R)-5-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]morpholin-2-yl]methanol
CID 97153639
4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol
CID 81219785
3-[3-[(2-methylmorpholin-4-yl)methyl]phenyl]prop-2-yn-1-amine
CID 54969416
[4-[(2-chloro-4-pyridinyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81203357
1-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpiperidin-4-ol
CID 114681109
[4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol
CID 81203885
[4-[(2,6-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81213707

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-5-methylmorpholin-2-yl]methanol (CID 81218645) is [4-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1Cc1cccc(C#CCN)c1.
What is the InChIKey of [4-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is JUOJSRHKNRYGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13-12-20-16(11-19)10-18(13)9-15-5-2-4-14(8-15)6-3-7-17/h2,4-5,8,13,16,19H,7,9-12,17H2,1H3.
What are the key properties of [4-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-5-methylmorpholin-2-yl]methanol?
[4-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 274.36 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81218645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).