(2R)-4-[3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)phenyl]-2-(phenylmethoxymethyl)morpholine

C23H28BNO4 — CID 89309578

IUPAC(2R)-4-[3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)phenyl]-2-(phenylmethoxymethyl)morpholine
SMILESC=C1OB(c2cccc(N3CCO[C@@H](COCc4ccccc4)C3)c2)OC1(C)C
InChIInChI=1S/C23H28BNO4/c1-18-23(2,3)29-24(28-18)20-10-7-11-21(14-20)25-12-13-27-22(15-25)17-26-16-19-8-5-4-6-9-19/h4-11,14,22H,1,12-13,15-17H2,2-3H3/t22-/m1/s1
InChIKeyDTTNKQSHAJSSNZ-JOCHJYFZSA-N
MW393.29 g/mol
LogP3.14
Rot. Bonds6

About (2R)-4-[3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)phenyl]-2-(phenylmethoxymethyl)morpholine

(2R)-4-[3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)phenyl]-2-(phenylmethoxymethyl)morpholine (PubChem CID 89309578) has the molecular formula C23H28BNO4 and a molecular weight of 393.29 g/mol. Its IUPAC name is (2R)-4-[3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)phenyl]-2-(phenylmethoxymethyl)morpholine.

Molecular Properties

Compound Name(2R)-4-[3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)phenyl]-2-(phenylmethoxymethyl)morpholine
PubChem CID89309578
Molecular FormulaC23H28BNO4
Molecular Weight393.29 g/mol
Exact Mass393.21
IUPAC Name(2R)-4-[3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)phenyl]-2-(phenylmethoxymethyl)morpholine
SMILESC=C1OB(c2cccc(N3CCO[C@@H](COCc4ccccc4)C3)c2)OC1(C)C
InChIInChI=1S/C23H28BNO4/c1-18-23(2,3)29-24(28-18)20-10-7-11-21(14-20)25-12-13-27-22(15-25)17-26-16-19-8-5-4-6-9-19/h4-11,14,22H,1,12-13,15-17H2,2-3H3/t22-/m1/s1
InChIKeyDTTNKQSHAJSSNZ-JOCHJYFZSA-N
XLogP3.14
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-4-[3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)phenyl]-2-(phenylmethoxymethyl)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

2-(phenylmethoxymethyl)-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
CID 78032009
3-(2-ethylmorpholin-4-yl)benzonitrile
CID 102815399
3-(2-ethylmorpholin-4-yl)benzoic acid
CID 102822701
2-ethyl-4-(3-propan-2-ylphenyl)morpholine
CID 20744240
[(2R)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholin-2-yl]methyl methanesulfonate
CID 172543391
benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate
CID 175632002
[(2R)-4-(3-bromophenyl)morpholin-2-yl]methanamine
CID 42079022
(5S)-3-phenyl-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
CID 124582958
1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-3-carbonitrile
CID 127263407
N,N-dimethyl-1-[(2S)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholin-2-yl]methanamine
CID 172543618
5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-phenylmethoxyethyl)pyridazin-3-one
CID 31224894
tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2S)-2-(phenylmethoxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate
CID 71142524

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)phenyl]-2-(phenylmethoxymethyl)morpholine?
The IUPAC name of (2R)-4-[3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)phenyl]-2-(phenylmethoxymethyl)morpholine (CID 89309578) is (2R)-4-[3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)phenyl]-2-(phenylmethoxymethyl)morpholine.
What is the SMILES notation for (2R)-4-[3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)phenyl]-2-(phenylmethoxymethyl)morpholine?
The canonical SMILES for (2R)-4-[3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)phenyl]-2-(phenylmethoxymethyl)morpholine is C=C1OB(c2cccc(N3CCO[C@@H](COCc4ccccc4)C3)c2)OC1(C)C.
What is the InChIKey of (2R)-4-[3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)phenyl]-2-(phenylmethoxymethyl)morpholine?
The InChIKey is DTTNKQSHAJSSNZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H28BNO4/c1-18-23(2,3)29-24(28-18)20-10-7-11-21(14-20)25-12-13-27-22(15-25)17-26-16-19-8-5-4-6-9-19/h4-11,14,22H,1,12-13,15-17H2,2-3H3/t22-/m1/s1.
What are the key properties of (2R)-4-[3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)phenyl]-2-(phenylmethoxymethyl)morpholine?
(2R)-4-[3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)phenyl]-2-(phenylmethoxymethyl)morpholine has a molecular weight of 393.29 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)phenyl]-2-(phenylmethoxymethyl)morpholine is sourced from PubChem (CID 89309578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).