N-methyl-2-phenylmethoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine

C16H26BNO3 — CID 174355745

IUPACN-methyl-2-phenylmethoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine
SMILESCNCC(OCc1ccccc1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H26BNO3/c1-15(2)16(3,4)21-17(20-15)14(11-18-5)19-12-13-9-7-6-8-10-13/h6-10,14,18H,11-12H2,1-5H3
InChIKeyUUQCVOKPKUBPTH-UHFFFAOYSA-N
MW291.20 g/mol
LogP2.42
Rot. Bonds6

About N-methyl-2-phenylmethoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine

N-methyl-2-phenylmethoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine (PubChem CID 174355745) has the molecular formula C16H26BNO3 and a molecular weight of 291.20 g/mol. Its IUPAC name is N-methyl-2-phenylmethoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-phenylmethoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine
PubChem CID174355745
Molecular FormulaC16H26BNO3
Molecular Weight291.20 g/mol
Exact Mass291.20
IUPAC NameN-methyl-2-phenylmethoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine
SMILESCNCC(OCc1ccccc1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H26BNO3/c1-15(2)16(3,4)21-17(20-15)14(11-18-5)19-12-13-9-7-6-8-10-13/h6-10,14,18H,11-12H2,1-5H3
InChIKeyUUQCVOKPKUBPTH-UHFFFAOYSA-N
XLogP2.42
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-methyl-2-phenylmethoxypropan-1-amine
CID 103227745
4,4,5,5-tetramethyl-2-[(E)-4-phenylmethoxypent-1-enyl]-1,3,2-dioxaborolane
CID 102178765
4,4,5,5-tetramethyl-2-(3-methyl-1-phenylbutan-2-yl)-1,3,2-dioxaborolane
CID 102424463
2-(1-isocyano-2-phenylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 139593259
methoxy-dimethyl-[(1S)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane
CID 154719088
4,4,5,5-tetramethyl-2-(5-phenylpentan-2-yl)-1,3,2-dioxaborolane
CID 165350697
benzyl (4R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexanoate
CID 164681250
benzyl (3R)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octanoate
CID 164681739
(1S)-4-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine
CID 168919733
[(1R)-4-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]azanium
CID 168920040
2-[(1S,2S)-2-deuterio-1-phenylpropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 139254233
4-methyl-1-[(1R)-1-phenylmethoxyethyl]-2,6,7-trioxa-1-boranuidabicyclo[2.2.2]octane
CID 10611547

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenylmethoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine?
The IUPAC name of N-methyl-2-phenylmethoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine (CID 174355745) is N-methyl-2-phenylmethoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-phenylmethoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-phenylmethoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine is CNCC(OCc1ccccc1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of N-methyl-2-phenylmethoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine?
The InChIKey is UUQCVOKPKUBPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BNO3/c1-15(2)16(3,4)21-17(20-15)14(11-18-5)19-12-13-9-7-6-8-10-13/h6-10,14,18H,11-12H2,1-5H3.
What are the key properties of N-methyl-2-phenylmethoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine?
N-methyl-2-phenylmethoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine has a molecular weight of 291.20 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenylmethoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine is sourced from PubChem (CID 174355745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).