3-amino-2,4,6-tris(morpholin-4-ylmethyl)phenol

C21H34N4O4 — CID 139658917

IUPAC3-amino-2,4,6-tris(morpholin-4-ylmethyl)phenol
SMILESNc1c(CN2CCOCC2)cc(CN2CCOCC2)c(O)c1CN1CCOCC1
InChIInChI=1S/C21H34N4O4/c22-20-17(14-23-1-7-27-8-2-23)13-18(15-24-3-9-28-10-4-24)21(26)19(20)16-25-5-11-29-12-6-25/h13,26H,1-12,14-16,22H2
InChIKeyOYIOYYOVTHTPHA-UHFFFAOYSA-N
MW406.53 g/mol
LogP0.47
Rot. Bonds6

About 3-amino-2,4,6-tris(morpholin-4-ylmethyl)phenol

3-amino-2,4,6-tris(morpholin-4-ylmethyl)phenol (PubChem CID 139658917) has the molecular formula C21H34N4O4 and a molecular weight of 406.53 g/mol. Its IUPAC name is 3-amino-2,4,6-tris(morpholin-4-ylmethyl)phenol.

Molecular Properties

Compound Name3-amino-2,4,6-tris(morpholin-4-ylmethyl)phenol
PubChem CID139658917
Molecular FormulaC21H34N4O4
Molecular Weight406.53 g/mol
Exact Mass406.26
IUPAC Name3-amino-2,4,6-tris(morpholin-4-ylmethyl)phenol
SMILESNc1c(CN2CCOCC2)cc(CN2CCOCC2)c(O)c1CN1CCOCC1
InChIInChI=1S/C21H34N4O4/c22-20-17(14-23-1-7-27-8-2-23)13-18(15-24-3-9-28-10-4-24)21(26)19(20)16-25-5-11-29-12-6-25/h13,26H,1-12,14-16,22H2
InChIKeyOYIOYYOVTHTPHA-UHFFFAOYSA-N
XLogP0.47
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-[[16-[(3-amino-2-hydroxy-5-methylphenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-4-methylphenol
CID 10578190
4-methyl-2,6-bis(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)phenol
CID 10462009
2,4,6-tris(piperidin-1-ylmethyl)benzene-1,3-diamine
CID 139658951
2,6-bis(morpholin-4-ylmethyl)-4-propan-2-ylphenol
CID 3338042
5-amino-2-(morpholin-4-ylmethyl)phenol
CID 19799808
3-amino-2-(morpholin-4-ylmethyl)phenol;azane
CID 69382401
2,4-bis(morpholin-4-ylmethyl)-6-(1,4-oxazepan-4-ylmethyl)phenol
CID 144964322
4-(fluoren-9-ylidenemethyl)-2,6-bis(morpholin-4-ylmethyl)phenol
CID 16681691
5-(azepan-1-ylmethyl)-4-hydroxy-3-(morpholin-4-ylmethyl)pyran-2-one
CID 71701165
2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol
CID 90293198
2-methoxy-4-methyl-6-(morpholin-4-ylmethyl)phenol
CID 58662167
3-(morpholin-4-ylmethyl)naphthalen-2-amine
CID 61214111

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4,6-tris(morpholin-4-ylmethyl)phenol?
The IUPAC name of 3-amino-2,4,6-tris(morpholin-4-ylmethyl)phenol (CID 139658917) is 3-amino-2,4,6-tris(morpholin-4-ylmethyl)phenol.
What is the SMILES notation for 3-amino-2,4,6-tris(morpholin-4-ylmethyl)phenol?
The canonical SMILES for 3-amino-2,4,6-tris(morpholin-4-ylmethyl)phenol is Nc1c(CN2CCOCC2)cc(CN2CCOCC2)c(O)c1CN1CCOCC1.
What is the InChIKey of 3-amino-2,4,6-tris(morpholin-4-ylmethyl)phenol?
The InChIKey is OYIOYYOVTHTPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O4/c22-20-17(14-23-1-7-27-8-2-23)13-18(15-24-3-9-28-10-4-24)21(26)19(20)16-25-5-11-29-12-6-25/h13,26H,1-12,14-16,22H2.
What are the key properties of 3-amino-2,4,6-tris(morpholin-4-ylmethyl)phenol?
3-amino-2,4,6-tris(morpholin-4-ylmethyl)phenol has a molecular weight of 406.53 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4,6-tris(morpholin-4-ylmethyl)phenol is sourced from PubChem (CID 139658917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).