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

C13H20N2O2 — CID 81202901

IUPAC[4-[(2-aminophenyl)methyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1Cc1ccccc1N
InChIInChI=1S/C13H20N2O2/c1-10-9-17-12(8-16)7-15(10)6-11-4-2-3-5-13(11)14/h2-5,10,12,16H,6-9,14H2,1H3
InChIKeyRCMHRSCHMGSUKR-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.85
Rot. Bonds3

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

[4-[(2-aminophenyl)methyl]-5-methylmorpholin-2-yl]methanol (PubChem CID 81202901) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [4-[(2-aminophenyl)methyl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(2-aminophenyl)methyl]-5-methylmorpholin-2-yl]methanol
PubChem CID81202901
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[4-[(2-aminophenyl)methyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1Cc1ccccc1N
InChIInChI=1S/C13H20N2O2/c1-10-9-17-12(8-16)7-15(10)6-11-4-2-3-5-13(11)14/h2-5,10,12,16H,6-9,14H2,1H3
InChIKeyRCMHRSCHMGSUKR-UHFFFAOYSA-N
XLogP0.85
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.85
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

2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzoic acid
CID 81204463
[(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol
CID 124512761
[4-[(2-amino-6-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81206386
4-[2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenyl]but-3-yn-1-ol
CID 81208141
[4-[(3-chloro-2-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 86781915
N-(2-aminophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide
CID 81193569
[4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol
CID 81203885
[(2S,5S)-5-methyl-4-[(5-phenylfuran-2-yl)methyl]morpholin-2-yl]methanol
CID 97153592
[4-[(2,6-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81213707
[(2S,5R)-4-[(4-chloro-2-methylphenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 100698230
4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol
CID 81219785
[5-methyl-4-(1,2-oxazol-5-ylmethyl)morpholin-2-yl]methanol
CID 81219706

Frequently Asked Questions

What is the IUPAC name of [4-[(2-aminophenyl)methyl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[(2-aminophenyl)methyl]-5-methylmorpholin-2-yl]methanol (CID 81202901) is [4-[(2-aminophenyl)methyl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[(2-aminophenyl)methyl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[(2-aminophenyl)methyl]-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1Cc1ccccc1N.
What is the InChIKey of [4-[(2-aminophenyl)methyl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is RCMHRSCHMGSUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-9-17-12(8-16)7-15(10)6-11-4-2-3-5-13(11)14/h2-5,10,12,16H,6-9,14H2,1H3.
What are the key properties of [4-[(2-aminophenyl)methyl]-5-methylmorpholin-2-yl]methanol?
[4-[(2-aminophenyl)methyl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 236.31 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-aminophenyl)methyl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81202901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).