4-amino-2-[(2,6-dimethylmorpholin-4-yl)methyl]phenol

C13H20N2O2 — CID 43375473

IUPAC4-amino-2-[(2,6-dimethylmorpholin-4-yl)methyl]phenol
SMILESCC1CN(Cc2cc(N)ccc2O)CC(C)O1
InChIInChI=1S/C13H20N2O2/c1-9-6-15(7-10(2)17-9)8-11-5-12(14)3-4-13(11)16/h3-5,9-10,16H,6-8,14H2,1-2H3
InChIKeyUEKDYCSYWMCJMV-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.58
Rot. Bonds2

About 4-amino-2-[(2,6-dimethylmorpholin-4-yl)methyl]phenol

4-amino-2-[(2,6-dimethylmorpholin-4-yl)methyl]phenol (PubChem CID 43375473) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-amino-2-[(2,6-dimethylmorpholin-4-yl)methyl]phenol.

Molecular Properties

Compound Name4-amino-2-[(2,6-dimethylmorpholin-4-yl)methyl]phenol
PubChem CID43375473
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-amino-2-[(2,6-dimethylmorpholin-4-yl)methyl]phenol
SMILESCC1CN(Cc2cc(N)ccc2O)CC(C)O1
InChIInChI=1S/C13H20N2O2/c1-9-6-15(7-10(2)17-9)8-11-5-12(14)3-4-13(11)16/h3-5,9-10,16H,6-8,14H2,1-2H3
InChIKeyUEKDYCSYWMCJMV-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
CID 62988425
2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-fluorophenol
CID 113356760
4-chloro-3-[(2,6-dimethylmorpholin-4-yl)methyl]aniline
CID 43169075
4-amino-2-(azetidin-1-ylmethyl)phenol
CID 130546739
4-amino-2-(1,3-dihydroisoindol-2-ylmethyl)phenol
CID 55050237
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol
CID 104961912
5-chloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]aniline
CID 62100073
1-[4-[(5-amino-2-hydroxyphenyl)methyl]piperazin-1-yl]ethanone
CID 43375641
4-chloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]aniline
CID 79582306
4-amino-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 106586086
4-amino-2-[[4-(2,2-dimethoxyethyl)piperazin-1-yl]methyl]phenol
CID 155403079
4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenol
CID 103947504

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2,6-dimethylmorpholin-4-yl)methyl]phenol?
The IUPAC name of 4-amino-2-[(2,6-dimethylmorpholin-4-yl)methyl]phenol (CID 43375473) is 4-amino-2-[(2,6-dimethylmorpholin-4-yl)methyl]phenol.
What is the SMILES notation for 4-amino-2-[(2,6-dimethylmorpholin-4-yl)methyl]phenol?
The canonical SMILES for 4-amino-2-[(2,6-dimethylmorpholin-4-yl)methyl]phenol is CC1CN(Cc2cc(N)ccc2O)CC(C)O1.
What is the InChIKey of 4-amino-2-[(2,6-dimethylmorpholin-4-yl)methyl]phenol?
The InChIKey is UEKDYCSYWMCJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-6-15(7-10(2)17-9)8-11-5-12(14)3-4-13(11)16/h3-5,9-10,16H,6-8,14H2,1-2H3.
What are the key properties of 4-amino-2-[(2,6-dimethylmorpholin-4-yl)methyl]phenol?
4-amino-2-[(2,6-dimethylmorpholin-4-yl)methyl]phenol has a molecular weight of 236.31 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2,6-dimethylmorpholin-4-yl)methyl]phenol is sourced from PubChem (CID 43375473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).