[4-(2-amino-5-methoxyphenyl)-5-methylmorpholin-2-yl]methanol

C13H20N2O3 — CID 81205715

IUPAC[4-(2-amino-5-methoxyphenyl)-5-methylmorpholin-2-yl]methanol
SMILESCOc1ccc(N)c(N2CC(CO)OCC2C)c1
InChIInChI=1S/C13H20N2O3/c1-9-8-18-11(7-16)6-15(9)13-5-10(17-2)3-4-12(13)14/h3-5,9,11,16H,6-8,14H2,1-2H3
InChIKeyQWYRWROJCABVBN-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.86
Rot. Bonds3

About [4-(2-amino-5-methoxyphenyl)-5-methylmorpholin-2-yl]methanol

[4-(2-amino-5-methoxyphenyl)-5-methylmorpholin-2-yl]methanol (PubChem CID 81205715) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is [4-(2-amino-5-methoxyphenyl)-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(2-amino-5-methoxyphenyl)-5-methylmorpholin-2-yl]methanol
PubChem CID81205715
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name[4-(2-amino-5-methoxyphenyl)-5-methylmorpholin-2-yl]methanol
SMILESCOc1ccc(N)c(N2CC(CO)OCC2C)c1
InChIInChI=1S/C13H20N2O3/c1-9-8-18-11(7-16)6-15(9)13-5-10(17-2)3-4-12(13)14/h3-5,9,11,16H,6-8,14H2,1-2H3
InChIKeyQWYRWROJCABVBN-UHFFFAOYSA-N
XLogP0.86
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-5-methoxyphenyl)-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(2-amino-5-methoxyphenyl)-5-methylmorpholin-2-yl]methanol (CID 81205715) is [4-(2-amino-5-methoxyphenyl)-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(2-amino-5-methoxyphenyl)-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(2-amino-5-methoxyphenyl)-5-methylmorpholin-2-yl]methanol is COc1ccc(N)c(N2CC(CO)OCC2C)c1.
What is the InChIKey of [4-(2-amino-5-methoxyphenyl)-5-methylmorpholin-2-yl]methanol?
The InChIKey is QWYRWROJCABVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9-8-18-11(7-16)6-15(9)13-5-10(17-2)3-4-12(13)14/h3-5,9,11,16H,6-8,14H2,1-2H3.
What are the key properties of [4-(2-amino-5-methoxyphenyl)-5-methylmorpholin-2-yl]methanol?
[4-(2-amino-5-methoxyphenyl)-5-methylmorpholin-2-yl]methanol has a molecular weight of 252.31 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-5-methoxyphenyl)-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81205715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).