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

C13H20N2O2 — CID 81206220

IUPAC[4-(4-amino-2-methylphenyl)-5-methylmorpholin-2-yl]methanol
SMILESCc1cc(N)ccc1N1CC(CO)OCC1C
InChIInChI=1S/C13H20N2O2/c1-9-5-11(14)3-4-13(9)15-6-12(7-16)17-8-10(15)2/h3-5,10,12,16H,6-8,14H2,1-2H3
InChIKeyDSBYQOVHDLGHKA-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.16
Rot. Bonds2

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

[4-(4-amino-2-methylphenyl)-5-methylmorpholin-2-yl]methanol (PubChem CID 81206220) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [4-(4-amino-2-methylphenyl)-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-amino-2-methylphenyl)-5-methylmorpholin-2-yl]methanol
PubChem CID81206220
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[4-(4-amino-2-methylphenyl)-5-methylmorpholin-2-yl]methanol
SMILESCc1cc(N)ccc1N1CC(CO)OCC1C
InChIInChI=1S/C13H20N2O2/c1-9-5-11(14)3-4-13(9)15-6-12(7-16)17-8-10(15)2/h3-5,10,12,16H,6-8,14H2,1-2H3
InChIKeyDSBYQOVHDLGHKA-UHFFFAOYSA-N
XLogP1.16
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-aminophenyl)-5-methylmorpholin-2-yl]methanol
CID 81206068
[4-(2-amino-5-chlorophenyl)-5-methylmorpholin-2-yl]methanol
CID 113315842
[4-(5-amino-2-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 81205999
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzonitrile
CID 107927682
[4-(2-amino-5-methoxyphenyl)-5-methylmorpholin-2-yl]methanol
CID 81205715
3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzamide
CID 82999726
methyl 3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzoate
CID 81219672
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzenecarboximidamide
CID 107930580
[4-(4-amino-2-methylphenyl)morpholin-2-yl]methanol
CID 81205635
5-bromo-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarbothioamide
CID 114891967
3-bromo-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarbothioamide
CID 82804864
[4-[4-(1-aminoethyl)-2-fluorophenyl]-5-methylmorpholin-2-yl]methanol
CID 81204825

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-2-methylphenyl)-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(4-amino-2-methylphenyl)-5-methylmorpholin-2-yl]methanol (CID 81206220) is [4-(4-amino-2-methylphenyl)-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(4-amino-2-methylphenyl)-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(4-amino-2-methylphenyl)-5-methylmorpholin-2-yl]methanol is Cc1cc(N)ccc1N1CC(CO)OCC1C.
What is the InChIKey of [4-(4-amino-2-methylphenyl)-5-methylmorpholin-2-yl]methanol?
The InChIKey is DSBYQOVHDLGHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-5-11(14)3-4-13(9)15-6-12(7-16)17-8-10(15)2/h3-5,10,12,16H,6-8,14H2,1-2H3.
What are the key properties of [4-(4-amino-2-methylphenyl)-5-methylmorpholin-2-yl]methanol?
[4-(4-amino-2-methylphenyl)-5-methylmorpholin-2-yl]methanol has a molecular weight of 236.31 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-2-methylphenyl)-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81206220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).