4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]phenyl]methyl]morpholine

C20H30BNO3 — CID 66734464

IUPAC4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]phenyl]methyl]morpholine
SMILESCC(=Cc1ccc(CN2CCOCC2)cc1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C20H30BNO3/c1-16(21-24-19(2,3)20(4,5)25-21)14-17-6-8-18(9-7-17)15-22-10-12-23-13-11-22/h6-9,14H,10-13,15H2,1-5H3
InChIKeyQMCZUWBILFQBPJ-UHFFFAOYSA-N
MW343.28 g/mol
LogP3.55
Rot. Bonds4

About 4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]phenyl]methyl]morpholine

4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]phenyl]methyl]morpholine (PubChem CID 66734464) has the molecular formula C20H30BNO3 and a molecular weight of 343.28 g/mol. Its IUPAC name is 4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]phenyl]methyl]morpholine
PubChem CID66734464
Molecular FormulaC20H30BNO3
Molecular Weight343.28 g/mol
Exact Mass343.23
IUPAC Name4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]phenyl]methyl]morpholine
SMILESCC(=Cc1ccc(CN2CCOCC2)cc1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C20H30BNO3/c1-16(21-24-19(2,3)20(4,5)25-21)14-17-6-8-18(9-7-17)15-22-10-12-23-13-11-22/h6-9,14H,10-13,15H2,1-5H3
InChIKeyQMCZUWBILFQBPJ-UHFFFAOYSA-N
XLogP3.55
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-[[4-[(Z)-2-bromo-2-fluoroethenyl]phenyl]methyl]morpholine
CID 87465392
4-[[4-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)ethenyl]phenyl]methyl]morpholine
CID 90962291
4-[[4-[(E)-2-iodoethenyl]phenyl]methyl]morpholine
CID 59417267
N-[1-(1-methylcyclopropyl)ethyl]-4-(morpholin-4-ylmethyl)aniline
CID 43363279
4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine
CID 59743834
CID 59303659
CID 59303659
4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574
4-[4-(morpholin-4-ylmethyl)phenyl]phenol
CID 39226445
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117318560
4-[2-fluoro-4-[4-(morpholin-4-ylmethyl)phenyl]but-1-en-3-ynyl]benzonitrile
CID 86643766
4-(morpholin-4-ylmethyl)-N-propan-2-ylaniline
CID 28716282
1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]azetidine
CID 68594445

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]phenyl]methyl]morpholine (CID 66734464) is 4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]phenyl]methyl]morpholine is CC(=Cc1ccc(CN2CCOCC2)cc1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]phenyl]methyl]morpholine?
The InChIKey is QMCZUWBILFQBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30BNO3/c1-16(21-24-19(2,3)20(4,5)25-21)14-17-6-8-18(9-7-17)15-22-10-12-23-13-11-22/h6-9,14H,10-13,15H2,1-5H3.
What are the key properties of 4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]phenyl]methyl]morpholine?
4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]phenyl]methyl]morpholine has a molecular weight of 343.28 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]phenyl]methyl]morpholine is sourced from PubChem (CID 66734464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).