ethane;2-methoxy-N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]ethanamine

C20H36BNO4 — CID 145410141

IUPACethane;2-methoxy-N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]ethanamine
SMILESCC.COCCN(C)CCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C18H30BNO4.C2H6/c1-17(2)18(3,4)24-19(23-17)15-7-9-16(10-8-15)22-14-12-20(5)11-13-21-6;1-2/h7-10H,11-14H2,1-6H3;1-2H3
InChIKeyXURBJHGYQNHSPH-UHFFFAOYSA-N
MW365.32 g/mol
LogP2.97
Rot. Bonds8

About ethane;2-methoxy-N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]ethanamine

ethane;2-methoxy-N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]ethanamine (PubChem CID 145410141) has the molecular formula C20H36BNO4 and a molecular weight of 365.32 g/mol. Its IUPAC name is ethane;2-methoxy-N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]ethanamine.

Molecular Properties

Compound Nameethane;2-methoxy-N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]ethanamine
PubChem CID145410141
Molecular FormulaC20H36BNO4
Molecular Weight365.32 g/mol
Exact Mass365.27
IUPAC Nameethane;2-methoxy-N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]ethanamine
SMILESCC.COCCN(C)CCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C18H30BNO4.C2H6/c1-17(2)18(3,4)24-19(23-17)15-7-9-16(10-8-15)22-14-12-20(5)11-13-21-6;1-2/h7-10H,11-14H2,1-6H3;1-2H3
InChIKeyXURBJHGYQNHSPH-UHFFFAOYSA-N
XLogP2.97
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]amino]ethanol
CID 161056043
4,4,5,5-tetramethyl-2-(4-octoxyphenyl)-1,3,2-dioxaborolane
CID 130161708
2-[4-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 113249624
sodium 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propane-1-sulfonate
CID 175190620
4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline
CID 61427012
N-(2-methoxyethyl)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 140900815
2-[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]acetonitrile
CID 61427477
4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenecarbothioamide
CID 61427149
4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenesulfonamide
CID 47294827
4,4,5,5-tetramethyl-2-[4-[[4-[4,4,5-trimethyl-5-[2-[4,5,5-trimethyl-2-[4-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]phenyl]-1,3,2-dioxaborolan-4-yl]ethyl]-1,3,2-dioxaborolan-2-yl]phenoxy]methoxy]phenyl]-1,3,2-dioxaborolane
CID 163528808
2-[4-[2-(2,5-difluorophenoxy)ethoxy]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 113249696
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl benzenesulfonate
CID 86661967

Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]ethanamine?
The IUPAC name of ethane;2-methoxy-N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]ethanamine (CID 145410141) is ethane;2-methoxy-N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]ethanamine.
What is the SMILES notation for ethane;2-methoxy-N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]ethanamine?
The canonical SMILES for ethane;2-methoxy-N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]ethanamine is CC.COCCN(C)CCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.
What is the InChIKey of ethane;2-methoxy-N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]ethanamine?
The InChIKey is XURBJHGYQNHSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BNO4.C2H6/c1-17(2)18(3,4)24-19(23-17)15-7-9-16(10-8-15)22-14-12-20(5)11-13-21-6;1-2/h7-10H,11-14H2,1-6H3;1-2H3.
What are the key properties of ethane;2-methoxy-N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]ethanamine?
ethane;2-methoxy-N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]ethanamine has a molecular weight of 365.32 g/mol, XLogP of 2.97, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]ethanamine is sourced from PubChem (CID 145410141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).