(N,4-dimethylanilino)methyl-trifluoroboranuide

C9H12BF3N- — CID 63703069

IUPAC(N,4-dimethylanilino)methyl-trifluoroboranuide
SMILESCc1ccc(N(C)C[B-](F)(F)F)cc1
InChIInChI=1S/C9H12BF3N/c1-8-3-5-9(6-4-8)14(2)7-10(11,12)13/h3-6H,7H2,1-2H3/q-1
InChIKeyUGNMXKXRXXLDJY-UHFFFAOYSA-N
MW202.01 g/mol
LogP2.82
Rot. Bonds3

About (N,4-dimethylanilino)methyl-trifluoroboranuide

(N,4-dimethylanilino)methyl-trifluoroboranuide (PubChem CID 63703069) has the molecular formula C9H12BF3N- and a molecular weight of 202.01 g/mol. Its IUPAC name is (N,4-dimethylanilino)methyl-trifluoroboranuide.

Molecular Properties

Compound Name(N,4-dimethylanilino)methyl-trifluoroboranuide
PubChem CID63703069
Molecular FormulaC9H12BF3N-
Molecular Weight202.01 g/mol
Exact Mass202.10
IUPAC Name(N,4-dimethylanilino)methyl-trifluoroboranuide
SMILESCc1ccc(N(C)C[B-](F)(F)F)cc1
InChIInChI=1S/C9H12BF3N/c1-8-3-5-9(6-4-8)14(2)7-10(11,12)13/h3-6H,7H2,1-2H3/q-1
InChIKeyUGNMXKXRXXLDJY-UHFFFAOYSA-N
XLogP2.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.01
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

potassium trifluoro-[(4-hydroxy-N-methylanilino)methyl]boranuide
CID 63705390
N-ethyl-N,4-dimethylaniline
CID 3036494
4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 90265189
N,4-dimethyl-N-propylaniline
CID 14671247
1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 18736513
2-[N-methyl-4-(4-methylphenyl)anilino]ethanol
CID 134375637
(2S)-1-N-methyl-1-N-(4-methylphenyl)propane-1,2-diamine
CID 28772456
N-butyl-N,4-dimethylaniline;ethane
CID 176937760
N-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 143685330
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
N-methyl-4-[(4-methylphenyl)-[4-[methyl(2,2,2-trifluoroethyl)amino]phenyl]methyl]-N-(2,2,2-trifluoroethyl)aniline
CID 100990166
5-(N,4-dimethylanilino)pentan-1-ol
CID 62226910

Frequently Asked Questions

What is the IUPAC name of (N,4-dimethylanilino)methyl-trifluoroboranuide?
The IUPAC name of (N,4-dimethylanilino)methyl-trifluoroboranuide (CID 63703069) is (N,4-dimethylanilino)methyl-trifluoroboranuide.
What is the SMILES notation for (N,4-dimethylanilino)methyl-trifluoroboranuide?
The canonical SMILES for (N,4-dimethylanilino)methyl-trifluoroboranuide is Cc1ccc(N(C)C[B-](F)(F)F)cc1.
What is the InChIKey of (N,4-dimethylanilino)methyl-trifluoroboranuide?
The InChIKey is UGNMXKXRXXLDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BF3N/c1-8-3-5-9(6-4-8)14(2)7-10(11,12)13/h3-6H,7H2,1-2H3/q-1.
What are the key properties of (N,4-dimethylanilino)methyl-trifluoroboranuide?
(N,4-dimethylanilino)methyl-trifluoroboranuide has a molecular weight of 202.01 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (N,4-dimethylanilino)methyl-trifluoroboranuide is sourced from PubChem (CID 63703069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).