[4-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methyl]-6-methylmorpholin-2-yl]methanol

C16H21FN2O2 — CID 102935399

IUPAC[4-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(Cc2cc(F)cc(C#CCN)c2)CC(CO)O1
InChIInChI=1S/C16H21FN2O2/c1-12-8-19(10-16(11-20)21-12)9-14-5-13(3-2-4-18)6-15(17)7-14/h5-7,12,16,20H,4,8-11,18H2,1H3
InChIKeyHOUABCABWVVXEN-UHFFFAOYSA-N
MW292.35 g/mol
LogP0.72
Rot. Bonds3

About [4-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methyl]-6-methylmorpholin-2-yl]methanol

[4-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methyl]-6-methylmorpholin-2-yl]methanol (PubChem CID 102935399) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is [4-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methyl]-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methyl]-6-methylmorpholin-2-yl]methanol
PubChem CID102935399
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name[4-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(Cc2cc(F)cc(C#CCN)c2)CC(CO)O1
InChIInChI=1S/C16H21FN2O2/c1-12-8-19(10-16(11-20)21-12)9-14-5-13(3-2-4-18)6-15(17)7-14/h5-7,12,16,20H,4,8-11,18H2,1H3
InChIKeyHOUABCABWVVXEN-UHFFFAOYSA-N
XLogP0.72
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 50.72
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

3-[3-[(3,4-dimethylpyrrolidin-1-yl)methyl]-5-fluorophenyl]prop-2-yn-1-amine
CID 79706050
[4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-6-methylmorpholin-2-yl]methanol
CID 102935396
1-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 79706160
3-[3-[(3-ethylpiperidin-1-yl)methyl]-5-fluorophenyl]prop-2-yn-1-amine
CID 79706970
4-[3-[(2,6-dimethylthiomorpholin-4-yl)methyl]-5-fluorophenyl]but-3-yn-1-ol
CID 79699204
3-[3-fluoro-5-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 102964533
2-fluoro-5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzonitrile
CID 102978174
3-[3-[(3,3-dimethylpiperidin-1-yl)methyl]-5-fluorophenyl]prop-2-yn-1-amine
CID 79706712
3-[3-[(3-ethoxypiperidin-1-yl)methyl]-5-fluorophenyl]prop-2-yn-1-amine
CID 79697073
1-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512503
3-[3-fluoro-5-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 83044125
[4-[(3-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935440

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methyl]-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methyl]-6-methylmorpholin-2-yl]methanol (CID 102935399) is [4-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methyl]-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methyl]-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methyl]-6-methylmorpholin-2-yl]methanol is CC1CN(Cc2cc(F)cc(C#CCN)c2)CC(CO)O1.
What is the InChIKey of [4-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methyl]-6-methylmorpholin-2-yl]methanol?
The InChIKey is HOUABCABWVVXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-12-8-19(10-16(11-20)21-12)9-14-5-13(3-2-4-18)6-15(17)7-14/h5-7,12,16,20H,4,8-11,18H2,1H3.
What are the key properties of [4-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methyl]-6-methylmorpholin-2-yl]methanol?
[4-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methyl]-6-methylmorpholin-2-yl]methanol has a molecular weight of 292.35 g/mol, XLogP of 0.72, 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)-5-fluorophenyl]methyl]-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102935399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).