N-[(4-dimethylboranylphenyl)methyl]-N-phenylaniline

C21H22BN — CID 58430122

IUPACN-[(4-dimethylboranylphenyl)methyl]-N-phenylaniline
SMILESCB(C)c1ccc(CN(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H22BN/c1-22(2)19-15-13-18(14-16-19)17-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16H,17H2,1-2H3
InChIKeyACUMUDKBYQPHNK-UHFFFAOYSA-N
MW299.23 g/mol
LogP4.99
Rot. Bonds5

About N-[(4-dimethylboranylphenyl)methyl]-N-phenylaniline

N-[(4-dimethylboranylphenyl)methyl]-N-phenylaniline (PubChem CID 58430122) has the molecular formula C21H22BN and a molecular weight of 299.23 g/mol. Its IUPAC name is N-[(4-dimethylboranylphenyl)methyl]-N-phenylaniline.

Molecular Properties

Compound NameN-[(4-dimethylboranylphenyl)methyl]-N-phenylaniline
PubChem CID58430122
Molecular FormulaC21H22BN
Molecular Weight299.23 g/mol
Exact Mass299.18
IUPAC NameN-[(4-dimethylboranylphenyl)methyl]-N-phenylaniline
SMILESCB(C)c1ccc(CN(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H22BN/c1-22(2)19-15-13-18(14-16-19)17-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16H,17H2,1-2H3
InChIKeyACUMUDKBYQPHNK-UHFFFAOYSA-N
XLogP4.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 54.99
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,N-diphenyl-4-[4-[4-[(N-phenylanilino)methyl]phenyl]phenyl]aniline
CID 155085132
N-phenyl-N-[[4-[[4-[(N-phenylanilino)methyl]phenoxy]methoxy]phenyl]methyl]aniline
CID 15701550
methanimine;4-methyl-N-[[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]methyl]-N-phenylaniline
CID 143688423
N-benzyl-N-phenylaniline;ethane;ethylbenzene;4-ethyl-N,N-diphenylaniline;N-ethyl-N-phenylaniline
CID 159513520
N,N-dibenzylaniline
CID 139071697
dimethyl-[4-(phenylsulfanylmethyl)phenyl]borane;methane
CID 158714978
N-benzyl-3-chloro-N-phenylaniline
CID 13283792
2,4-dimethyl-N-[(4-methylphenyl)methyl]-N-phenylaniline
CID 142315588
4-[[N-[(4-aminophenyl)methyl]anilino]methyl]aniline;ethane
CID 90899245
N-benzyl-N-cyclopenta-1,3-dien-1-ylaniline
CID 137467025
3-(N-benzyl-3-hydroxyanilino)phenol
CID 86210696
N,N-bis[(4-ethenylphenyl)methyl]aniline
CID 86166362

Frequently Asked Questions

What is the IUPAC name of N-[(4-dimethylboranylphenyl)methyl]-N-phenylaniline?
The IUPAC name of N-[(4-dimethylboranylphenyl)methyl]-N-phenylaniline (CID 58430122) is N-[(4-dimethylboranylphenyl)methyl]-N-phenylaniline.
What is the SMILES notation for N-[(4-dimethylboranylphenyl)methyl]-N-phenylaniline?
The canonical SMILES for N-[(4-dimethylboranylphenyl)methyl]-N-phenylaniline is CB(C)c1ccc(CN(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-dimethylboranylphenyl)methyl]-N-phenylaniline?
The InChIKey is ACUMUDKBYQPHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BN/c1-22(2)19-15-13-18(14-16-19)17-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16H,17H2,1-2H3.
What are the key properties of N-[(4-dimethylboranylphenyl)methyl]-N-phenylaniline?
N-[(4-dimethylboranylphenyl)methyl]-N-phenylaniline has a molecular weight of 299.23 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-dimethylboranylphenyl)methyl]-N-phenylaniline is sourced from PubChem (CID 58430122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).