N-[ethyl(phenyl)boranyl]-N-methylaniline

C15H18BN — CID 102118221

IUPACN-[ethyl(phenyl)boranyl]-N-methylaniline
SMILESCCB(c1ccccc1)N(C)c1ccccc1
InChIInChI=1S/C15H18BN/c1-3-16(14-10-6-4-7-11-14)17(2)15-12-8-5-9-13-15/h4-13H,3H2,1-2H3
InChIKeyOWDOXDBXXHEEEJ-UHFFFAOYSA-N
MW223.13 g/mol
LogP3.04
Rot. Bonds4

About N-[ethyl(phenyl)boranyl]-N-methylaniline

N-[ethyl(phenyl)boranyl]-N-methylaniline (PubChem CID 102118221) has the molecular formula C15H18BN and a molecular weight of 223.13 g/mol. Its IUPAC name is N-[ethyl(phenyl)boranyl]-N-methylaniline.

Molecular Properties

Compound NameN-[ethyl(phenyl)boranyl]-N-methylaniline
PubChem CID102118221
Molecular FormulaC15H18BN
Molecular Weight223.13 g/mol
Exact Mass223.15
IUPAC NameN-[ethyl(phenyl)boranyl]-N-methylaniline
SMILESCCB(c1ccccc1)N(C)c1ccccc1
InChIInChI=1S/C15H18BN/c1-3-16(14-10-6-4-7-11-14)17(2)15-12-8-5-9-13-15/h4-13H,3H2,1-2H3
InChIKeyOWDOXDBXXHEEEJ-UHFFFAOYSA-N
XLogP3.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.13
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-dimethylboranyl-N-methylaniline
CID 5326242
(N-methylanilino)phosphanium
CID 163691673
1,2-dimethyl-1-phenylhydrazine;hydrochloride
CID 21217204
N,N-dimethylaniline
CID 70392672
N-methyl-N-[methyl(phenyl)boranyl]methanamine
CID 583483
N,N-diethylaniline
CID 7061
N,N-dimethylaniline;N,N-diphenylaniline
CID 159990775
benzene;methanol;naphthalene;propane
CID 159585555
N,N-dimethylaniline;mercury
CID 158660084
N,N-dimethylaniline;hydrofluoride
CID 160775229
N,N-dimethylaniline;hydron
CID 174471199
N,N-dimethylaniline;nickel
CID 158294400

Frequently Asked Questions

What is the IUPAC name of N-[ethyl(phenyl)boranyl]-N-methylaniline?
The IUPAC name of N-[ethyl(phenyl)boranyl]-N-methylaniline (CID 102118221) is N-[ethyl(phenyl)boranyl]-N-methylaniline.
What is the SMILES notation for N-[ethyl(phenyl)boranyl]-N-methylaniline?
The canonical SMILES for N-[ethyl(phenyl)boranyl]-N-methylaniline is CCB(c1ccccc1)N(C)c1ccccc1.
What is the InChIKey of N-[ethyl(phenyl)boranyl]-N-methylaniline?
The InChIKey is OWDOXDBXXHEEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BN/c1-3-16(14-10-6-4-7-11-14)17(2)15-12-8-5-9-13-15/h4-13H,3H2,1-2H3.
What are the key properties of N-[ethyl(phenyl)boranyl]-N-methylaniline?
N-[ethyl(phenyl)boranyl]-N-methylaniline has a molecular weight of 223.13 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl(phenyl)boranyl]-N-methylaniline is sourced from PubChem (CID 102118221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).