2,6-bis(morpholin-4-ylmethyl)-4-propan-2-ylphenol

C19H30N2O3 — CID 3338042

IUPAC2,6-bis(morpholin-4-ylmethyl)-4-propan-2-ylphenol
SMILESCC(C)c1cc(CN2CCOCC2)c(O)c(CN2CCOCC2)c1
InChIInChI=1S/C19H30N2O3/c1-15(2)16-11-17(13-20-3-7-23-8-4-20)19(22)18(12-16)14-21-5-9-24-10-6-21/h11-12,15,22H,3-10,13-14H2,1-2H3
InChIKeyBMFDXIFVBCMZEA-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.18
Rot. Bonds5

About 2,6-bis(morpholin-4-ylmethyl)-4-propan-2-ylphenol

2,6-bis(morpholin-4-ylmethyl)-4-propan-2-ylphenol (PubChem CID 3338042) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2,6-bis(morpholin-4-ylmethyl)-4-propan-2-ylphenol.

Molecular Properties

Compound Name2,6-bis(morpholin-4-ylmethyl)-4-propan-2-ylphenol
PubChem CID3338042
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name2,6-bis(morpholin-4-ylmethyl)-4-propan-2-ylphenol
SMILESCC(C)c1cc(CN2CCOCC2)c(O)c(CN2CCOCC2)c1
InChIInChI=1S/C19H30N2O3/c1-15(2)16-11-17(13-20-3-7-23-8-4-20)19(22)18(12-16)14-21-5-9-24-10-6-21/h11-12,15,22H,3-10,13-14H2,1-2H3
InChIKeyBMFDXIFVBCMZEA-UHFFFAOYSA-N
XLogP2.18
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2,6-bis(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)phenol
CID 10462009
2,4-bis(morpholin-4-ylmethyl)-6-(1,4-oxazepan-4-ylmethyl)phenol
CID 144964322
4-[(2-chloro-4-propan-2-ylphenyl)methyl]morpholine;ethane
CID 143579646
2-(difluoromethyl)-6-(piperazin-1-ylmethyl)-4-propan-2-ylphenol
CID 117457896
2-chloro-6-(piperazin-1-ylmethyl)-4-propan-2-ylphenol
CID 117425704
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
2-methoxy-4-methyl-6-(morpholin-4-ylmethyl)phenol
CID 58662167
3-amino-2,4,6-tris(morpholin-4-ylmethyl)phenol
CID 139658917
4-(fluoren-9-ylidenemethyl)-2,6-bis(morpholin-4-ylmethyl)phenol
CID 16681691
2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol
CID 90293198
4-methyl-2-(1,4,7-trioxa-10-azacyclododec-10-ylmethyl)phenol
CID 11779275
6,12-dimethyl-4,14-bis(morpholin-4-ylmethyl)-9-oxido-8,10-dioxa-9-phosphoniatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,13-diol
CID 122364814

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(morpholin-4-ylmethyl)-4-propan-2-ylphenol?
The IUPAC name of 2,6-bis(morpholin-4-ylmethyl)-4-propan-2-ylphenol (CID 3338042) is 2,6-bis(morpholin-4-ylmethyl)-4-propan-2-ylphenol.
What is the SMILES notation for 2,6-bis(morpholin-4-ylmethyl)-4-propan-2-ylphenol?
The canonical SMILES for 2,6-bis(morpholin-4-ylmethyl)-4-propan-2-ylphenol is CC(C)c1cc(CN2CCOCC2)c(O)c(CN2CCOCC2)c1.
What is the InChIKey of 2,6-bis(morpholin-4-ylmethyl)-4-propan-2-ylphenol?
The InChIKey is BMFDXIFVBCMZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-15(2)16-11-17(13-20-3-7-23-8-4-20)19(22)18(12-16)14-21-5-9-24-10-6-21/h11-12,15,22H,3-10,13-14H2,1-2H3.
What are the key properties of 2,6-bis(morpholin-4-ylmethyl)-4-propan-2-ylphenol?
2,6-bis(morpholin-4-ylmethyl)-4-propan-2-ylphenol has a molecular weight of 334.46 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(morpholin-4-ylmethyl)-4-propan-2-ylphenol is sourced from PubChem (CID 3338042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).