[4-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylmorpholin-2-yl]methanol

C14H20N2O4 — CID 102931988

IUPAC[4-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(c2cc3c(cc2N)OCCO3)CC(CO)O1
InChIInChI=1S/C14H20N2O4/c1-9-6-16(7-10(8-17)20-9)12-5-14-13(4-11(12)15)18-2-3-19-14/h4-5,9-10,17H,2-3,6-8,15H2,1H3
InChIKeyJFVPXNWGHSVOOF-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.63
Rot. Bonds2

About [4-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylmorpholin-2-yl]methanol

[4-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylmorpholin-2-yl]methanol (PubChem CID 102931988) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is [4-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylmorpholin-2-yl]methanol
PubChem CID102931988
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name[4-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(c2cc3c(cc2N)OCCO3)CC(CO)O1
InChIInChI=1S/C14H20N2O4/c1-9-6-16(7-10(8-17)20-9)12-5-14-13(4-11(12)15)18-2-3-19-14/h4-5,9-10,17H,2-3,6-8,15H2,1H3
InChIKeyJFVPXNWGHSVOOF-UHFFFAOYSA-N
XLogP0.63
TPSA77.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-(2-amino-4-methylsulfonylphenyl)-6-methylmorpholin-2-yl]methanol
CID 102931892
[4-(3-aminopyrazin-2-yl)-6-methylmorpholin-2-yl]methanol
CID 102976001
[4-(2-amino-3-pyridinyl)-6-methylmorpholin-2-yl]methanol
CID 102932034
5-amino-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenesulfonamide
CID 102931949
6-(3,4-dimethoxypyrrolidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 103530636
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethylbenzenesulfonamide
CID 102935173
[4-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-6-methylmorpholin-2-yl]methanol
CID 102935345
[4-(6-amino-2-propylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol
CID 102939143
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-methylbenzoic acid
CID 102933176
[4-[4-(aminomethyl)-2,6-difluorophenyl]-6-methylmorpholin-2-yl]methanol
CID 102932075
[4-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol
CID 102932063
2,3-difluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarbothioamide
CID 107935325

Frequently Asked Questions

What is the IUPAC name of [4-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylmorpholin-2-yl]methanol (CID 102931988) is [4-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylmorpholin-2-yl]methanol is CC1CN(c2cc3c(cc2N)OCCO3)CC(CO)O1.
What is the InChIKey of [4-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylmorpholin-2-yl]methanol?
The InChIKey is JFVPXNWGHSVOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9-6-16(7-10(8-17)20-9)12-5-14-13(4-11(12)15)18-2-3-19-14/h4-5,9-10,17H,2-3,6-8,15H2,1H3.
What are the key properties of [4-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylmorpholin-2-yl]methanol?
[4-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylmorpholin-2-yl]methanol has a molecular weight of 280.32 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102931988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).