[4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-6-methylmorpholin-2-yl]methanol

C16H22N2O2 — CID 102935396

IUPAC[4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(Cc2ccccc2C#CCN)CC(CO)O1
InChIInChI=1S/C16H22N2O2/c1-13-9-18(11-16(12-19)20-13)10-15-6-3-2-5-14(15)7-4-8-17/h2-3,5-6,13,16,19H,8-12,17H2,1H3
InChIKeySLEPXSPZBUYCDW-UHFFFAOYSA-N
MW274.36 g/mol
LogP0.58
Rot. Bonds3

About [4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-6-methylmorpholin-2-yl]methanol

[4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-6-methylmorpholin-2-yl]methanol (PubChem CID 102935396) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is [4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-6-methylmorpholin-2-yl]methanol
PubChem CID102935396
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name[4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(Cc2ccccc2C#CCN)CC(CO)O1
InChIInChI=1S/C16H22N2O2/c1-13-9-18(11-16(12-19)20-13)10-15-6-3-2-5-14(15)7-4-8-17/h2-3,5-6,13,16,19H,8-12,17H2,1H3
InChIKeySLEPXSPZBUYCDW-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-(3-aminoprop-1-ynyl)-5-fluorophenyl]methyl]-6-methylmorpholin-2-yl]methanol
CID 102935399
2-[2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetohydrazide
CID 102938197
4-[2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol
CID 102935406
[4-[(2-amino-4-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102932091
2-[4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetic acid
CID 102933414
[4-[(3-chloro-4-pyridinyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935735
4-benzyl-2-ethyl-6-methylmorpholine
CID 67357185
[4-[(3-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935440
3-chloro-4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide
CID 102935941
1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-one
CID 102933552
[6-methyl-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methanol
CID 102936044
3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide
CID 102935603

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-6-methylmorpholin-2-yl]methanol (CID 102935396) is [4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-6-methylmorpholin-2-yl]methanol is CC1CN(Cc2ccccc2C#CCN)CC(CO)O1.
What is the InChIKey of [4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-6-methylmorpholin-2-yl]methanol?
The InChIKey is SLEPXSPZBUYCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13-9-18(11-16(12-19)20-13)10-15-6-3-2-5-14(15)7-4-8-17/h2-3,5-6,13,16,19H,8-12,17H2,1H3.
What are the key properties of [4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-6-methylmorpholin-2-yl]methanol?
[4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-6-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-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102935396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).