4-[(3,5-ditert-butylphenyl)methyl]morpholine

C19H31NO — CID 59709271

IUPAC4-[(3,5-ditert-butylphenyl)methyl]morpholine
SMILESCC(C)(C)c1cc(CN2CCOCC2)cc(C(C)(C)C)c1
InChIInChI=1S/C19H31NO/c1-18(2,3)16-11-15(12-17(13-16)19(4,5)6)14-20-7-9-21-10-8-20/h11-13H,7-10,14H2,1-6H3
InChIKeyXBAWRFLOJXYFBD-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.11
Rot. Bonds2

About 4-[(3,5-ditert-butylphenyl)methyl]morpholine

4-[(3,5-ditert-butylphenyl)methyl]morpholine (PubChem CID 59709271) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 4-[(3,5-ditert-butylphenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(3,5-ditert-butylphenyl)methyl]morpholine
PubChem CID59709271
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name4-[(3,5-ditert-butylphenyl)methyl]morpholine
SMILESCC(C)(C)c1cc(CN2CCOCC2)cc(C(C)(C)C)c1
InChIInChI=1S/C19H31NO/c1-18(2,3)16-11-15(12-17(13-16)19(4,5)6)14-20-7-9-21-10-8-20/h11-13H,7-10,14H2,1-6H3
InChIKeyXBAWRFLOJXYFBD-UHFFFAOYSA-N
XLogP4.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(3,5-ditert-butylphenyl)methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-tert-butyl-4-pyridinyl)methyl]morpholine
CID 58209224
4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine
CID 178059830
2-[4-(morpholin-4-ylmethyl)phenyl]propan-2-amine
CID 82026958
4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine
CID 59743834
1,8-bis[(3,5-ditert-butylphenyl)methyl]-4,11-dimethyl-1,4,8,11-tetrazacyclotetradecane
CID 132917367
2-tert-butyl-4-[[13-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]methyl]-6-methylphenol
CID 11028199
4-[(4-bromo-3,5-dimethylphenyl)methyl]morpholine
CID 170919244
4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine
CID 178059917
4-[[3-methyl-5-[(2-methylpropan-2-yl)oxy]phenyl]methyl]morpholine
CID 21060369
6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one
CID 174673146
4-[(6-tert-butyl-3,4-dihydro-1H-isochromen-8-yl)methyl]morpholine
CID 171606507
4-[(5-tert-butylcyclohexa-1,5-dien-1-yl)methyl]morpholine
CID 126724586

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-ditert-butylphenyl)methyl]morpholine?
The IUPAC name of 4-[(3,5-ditert-butylphenyl)methyl]morpholine (CID 59709271) is 4-[(3,5-ditert-butylphenyl)methyl]morpholine.
What is the SMILES notation for 4-[(3,5-ditert-butylphenyl)methyl]morpholine?
The canonical SMILES for 4-[(3,5-ditert-butylphenyl)methyl]morpholine is CC(C)(C)c1cc(CN2CCOCC2)cc(C(C)(C)C)c1.
What is the InChIKey of 4-[(3,5-ditert-butylphenyl)methyl]morpholine?
The InChIKey is XBAWRFLOJXYFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-18(2,3)16-11-15(12-17(13-16)19(4,5)6)14-20-7-9-21-10-8-20/h11-13H,7-10,14H2,1-6H3.
What are the key properties of 4-[(3,5-ditert-butylphenyl)methyl]morpholine?
4-[(3,5-ditert-butylphenyl)methyl]morpholine has a molecular weight of 289.46 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-ditert-butylphenyl)methyl]morpholine is sourced from PubChem (CID 59709271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).