[4-(4-aminophenyl)-5-methylmorpholin-2-yl]methanol

C12H18N2O2 — CID 81206068

IUPAC[4-(4-aminophenyl)-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1c1ccc(N)cc1
InChIInChI=1S/C12H18N2O2/c1-9-8-16-12(7-15)6-14(9)11-4-2-10(13)3-5-11/h2-5,9,12,15H,6-8,13H2,1H3
InChIKeyUNTXXYXDDAZFNL-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.85
Rot. Bonds2

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

[4-(4-aminophenyl)-5-methylmorpholin-2-yl]methanol (PubChem CID 81206068) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is [4-(4-aminophenyl)-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-aminophenyl)-5-methylmorpholin-2-yl]methanol
PubChem CID81206068
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name[4-(4-aminophenyl)-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1c1ccc(N)cc1
InChIInChI=1S/C12H18N2O2/c1-9-8-16-12(7-15)6-14(9)11-4-2-10(13)3-5-11/h2-5,9,12,15H,6-8,13H2,1H3
InChIKeyUNTXXYXDDAZFNL-UHFFFAOYSA-N
XLogP0.85
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarbothioamide
CID 81202788
[4-(4-amino-2-methylphenyl)-5-methylmorpholin-2-yl]methanol
CID 81206220
[4-(5-amino-2-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 81205999
2-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzoic acid
CID 104500812
2-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenesulfonamide
CID 81205568
4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzenesulfonamide
CID 81218807
2-chloro-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarbothioamide
CID 81204035
[4-(2-chloro-4-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 102824323
[4-(6-amino-2-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 81218480
2-chloro-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzonitrile
CID 81203842
2-chloro-N'-hydroxy-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide
CID 81203511
[4-[4-[(2-methoxyethylamino)methyl]phenyl]-5-methylmorpholin-2-yl]methanol
CID 81193946

Frequently Asked Questions

What is the IUPAC name of [4-(4-aminophenyl)-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(4-aminophenyl)-5-methylmorpholin-2-yl]methanol (CID 81206068) is [4-(4-aminophenyl)-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(4-aminophenyl)-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(4-aminophenyl)-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1c1ccc(N)cc1.
What is the InChIKey of [4-(4-aminophenyl)-5-methylmorpholin-2-yl]methanol?
The InChIKey is UNTXXYXDDAZFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-8-16-12(7-15)6-14(9)11-4-2-10(13)3-5-11/h2-5,9,12,15H,6-8,13H2,1H3.
What are the key properties of [4-(4-aminophenyl)-5-methylmorpholin-2-yl]methanol?
[4-(4-aminophenyl)-5-methylmorpholin-2-yl]methanol has a molecular weight of 222.29 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminophenyl)-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81206068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).