2-aminoethoxy-cyclohexa-2,5-dien-1-ylidene-phenylboranuide

C14H17BNO- — CID 134812692

IUPAC2-aminoethoxy-cyclohexa-2,5-dien-1-ylidene-phenylboranuide
SMILESNCCO[B-](=C1C=CCC=C1)c1ccccc1
InChIInChI=1S/C14H17BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-10H,2,11-12,16H2/q-1
InChIKeyFJQBRFZRXSPJNN-UHFFFAOYSA-N
MW226.11 g/mol
LogP1.13
Rot. Bonds4

About 2-aminoethoxy-cyclohexa-2,5-dien-1-ylidene-phenylboranuide

2-aminoethoxy-cyclohexa-2,5-dien-1-ylidene-phenylboranuide (PubChem CID 134812692) has the molecular formula C14H17BNO- and a molecular weight of 226.11 g/mol. Its IUPAC name is 2-aminoethoxy-cyclohexa-2,5-dien-1-ylidene-phenylboranuide.

Molecular Properties

Compound Name2-aminoethoxy-cyclohexa-2,5-dien-1-ylidene-phenylboranuide
PubChem CID134812692
Molecular FormulaC14H17BNO-
Molecular Weight226.11 g/mol
Exact Mass226.14
IUPAC Name2-aminoethoxy-cyclohexa-2,5-dien-1-ylidene-phenylboranuide
SMILESNCCO[B-](=C1C=CCC=C1)c1ccccc1
InChIInChI=1S/C14H17BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-10H,2,11-12,16H2/q-1
InChIKeyFJQBRFZRXSPJNN-UHFFFAOYSA-N
XLogP1.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.11
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Aminoethoxydiphenyl borate
CID 1598
Ethylamine, 2,2',2''-((phenylsilylidyne)trioxy)tris-
CID 28334
2,2-Bis(4-fluorophenyl)-1-oxa-3-azonia-2-boranuidacyclopentane
CID 60040027
2,2-Diphenyl-1,3,2-oxazaborolidine internal salt
CID 13317552
2,2-Diphenyl-1-oxa-3-azonia-2-boranuidacyclohexane
CID 71660004
2-(4-Fluorophenyl)-2-phenyl-1-oxa-3-azonia-2-boranuidacyclopentane
CID 71660073
2-(4-Iodophenyl)-2-phenyl-1-oxa-3-azonia-2-boranuidacyclopentane
CID 71660119
2-Aminoethyl bis(4-methylphenyl)borinate
CID 12987053
1-Diphenylboranyloxy-2-methylpropan-2-amine
CID 347586
Di-phenylboric acid aminoethylester
CID 18920458
2-Aminoethyldiphenylborane
CID 19796096
2-Aminoethoxyphenyl-borane
CID 20654602

Frequently Asked Questions

What is the IUPAC name of 2-aminoethoxy-cyclohexa-2,5-dien-1-ylidene-phenylboranuide?
The IUPAC name of 2-aminoethoxy-cyclohexa-2,5-dien-1-ylidene-phenylboranuide (CID 134812692) is 2-aminoethoxy-cyclohexa-2,5-dien-1-ylidene-phenylboranuide.
What is the SMILES notation for 2-aminoethoxy-cyclohexa-2,5-dien-1-ylidene-phenylboranuide?
The canonical SMILES for 2-aminoethoxy-cyclohexa-2,5-dien-1-ylidene-phenylboranuide is NCCO[B-](=C1C=CCC=C1)c1ccccc1.
What is the InChIKey of 2-aminoethoxy-cyclohexa-2,5-dien-1-ylidene-phenylboranuide?
The InChIKey is FJQBRFZRXSPJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-10H,2,11-12,16H2/q-1.
What are the key properties of 2-aminoethoxy-cyclohexa-2,5-dien-1-ylidene-phenylboranuide?
2-aminoethoxy-cyclohexa-2,5-dien-1-ylidene-phenylboranuide has a molecular weight of 226.11 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethoxy-cyclohexa-2,5-dien-1-ylidene-phenylboranuide is sourced from PubChem (CID 134812692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).