1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine

C14H22BNO2 — CID 132919216

IUPAC1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine
SMILESCC1(C)OB(CC(N)c2ccccc2)OC1(C)C
InChIInChI=1S/C14H22BNO2/c1-13(2)14(3,4)18-15(17-13)10-12(16)11-8-6-5-7-9-11/h5-9,12H,10,16H2,1-4H3
InChIKeyGVOMBDMKFJDHSA-UHFFFAOYSA-N
MW247.15 g/mol
LogP2.78
Rot. Bonds3

About 1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine

1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine (PubChem CID 132919216) has the molecular formula C14H22BNO2 and a molecular weight of 247.15 g/mol. Its IUPAC name is 1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine
PubChem CID132919216
Molecular FormulaC14H22BNO2
Molecular Weight247.15 g/mol
Exact Mass247.17
IUPAC Name1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine
SMILESCC1(C)OB(CC(N)c2ccccc2)OC1(C)C
InChIInChI=1S/C14H22BNO2/c1-13(2)14(3,4)18-15(17-13)10-12(16)11-8-6-5-7-9-11/h5-9,12H,10,16H2,1-4H3
InChIKeyGVOMBDMKFJDHSA-UHFFFAOYSA-N
XLogP2.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.15
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-[(2R)-2-phenylbutyl]-1,3,2-dioxaborolane
CID 54597883
4,4,5,5-tetramethyl-2-[(2S)-2-(3-methylphenyl)propyl]-1,3,2-dioxaborolane
CID 57416215
phenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
CID 174108740
4,4,5,5-tetramethyl-2-[(E)-4-(4-methylphenyl)-2-phenylpent-3-enyl]-1,3,2-dioxaborolane
CID 154712426
4,4,5,5-tetramethyl-2-[(E,2R)-2-methyl-4-phenylpent-3-enyl]-1,3,2-dioxaborolane
CID 177396818
(2S)-4-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]butanenitrile
CID 146168343
(1S)-4-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine
CID 168919733
(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
2-[(1S,2S)-2-deuterio-1-phenylpropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 139254233
(R)-(4-phenylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine
CID 171191111
4,4,5,5-tetramethyl-2-(1-phenylpropoxy)-1,3,2-dioxaborolane
CID 132609190
4,4,5,5-tetramethyl-2-[(1R)-1-phenyl-2,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane
CID 139203595

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine?
The IUPAC name of 1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine (CID 132919216) is 1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine.
What is the SMILES notation for 1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine?
The canonical SMILES for 1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine is CC1(C)OB(CC(N)c2ccccc2)OC1(C)C.
What is the InChIKey of 1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine?
The InChIKey is GVOMBDMKFJDHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BNO2/c1-13(2)14(3,4)18-15(17-13)10-12(16)11-8-6-5-7-9-11/h5-9,12H,10,16H2,1-4H3.
What are the key properties of 1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine?
1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine has a molecular weight of 247.15 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine is sourced from PubChem (CID 132919216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).