4-(4-amino-2,6-dimethylphenyl)-3,5-dimethylaniline;boric acid

C16H23BN2O3 — CID 157485296

IUPAC4-(4-amino-2,6-dimethylphenyl)-3,5-dimethylaniline;boric acid
SMILESCc1cc(N)cc(C)c1-c1c(C)cc(N)cc1C.OB(O)O
InChIInChI=1S/C16H20N2.BH3O3/c1-9-5-13(17)6-10(2)15(9)16-11(3)7-14(18)8-12(16)4;2-1(3)4/h5-8H,17-18H2,1-4H3;2-4H
InChIKeyBWQJQUGNVPLDIH-UHFFFAOYSA-N
MW302.18 g/mol
LogP1.70
Rot. Bonds1

About 4-(4-amino-2,6-dimethylphenyl)-3,5-dimethylaniline;boric acid

4-(4-amino-2,6-dimethylphenyl)-3,5-dimethylaniline;boric acid (PubChem CID 157485296) has the molecular formula C16H23BN2O3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 4-(4-amino-2,6-dimethylphenyl)-3,5-dimethylaniline;boric acid.

Molecular Properties

Compound Name4-(4-amino-2,6-dimethylphenyl)-3,5-dimethylaniline;boric acid
PubChem CID157485296
Molecular FormulaC16H23BN2O3
Molecular Weight302.18 g/mol
Exact Mass302.18
IUPAC Name4-(4-amino-2,6-dimethylphenyl)-3,5-dimethylaniline;boric acid
SMILESCc1cc(N)cc(C)c1-c1c(C)cc(N)cc1C.OB(O)O
InChIInChI=1S/C16H20N2.BH3O3/c1-9-5-13(17)6-10(2)15(9)16-11(3)7-14(18)8-12(16)4;2-1(3)4/h5-8H,17-18H2,1-4H3;2-4H
InChIKeyBWQJQUGNVPLDIH-UHFFFAOYSA-N
XLogP1.70
TPSA112.73 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 51.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-amino-2-(4-amino-2-methoxycarbonyl-6-methylphenyl)-3-methylbenzoate
CID 11850314
4-(4-aminophenyl)-3-chloro-5-methylaniline
CID 150398690
3,5-dimethyl-4-(1,3-thiazol-4-yl)aniline
CID 18788468
3,5-dimethyl-4-nitrosoaniline
CID 23423646
3-chloro-5-methylaniline;ethane
CID 142083431
4,6,7,9-tetramethyl-9H-fluoren-2-amine
CID 170132134
3-amino-1-methylanthracene-9,10-dione
CID 15716485
3,5-dimethylaniline;hydrofluoride
CID 158073989
4-[8-(4-amino-2,6-dimethylphenyl)octa-1,3,5,7-tetraynyl]-3,5-dimethylaniline
CID 122214140
3,5-dimethyl-4-(2,4,6-trimethylphenoxy)aniline
CID 167658948
3,5-dimethylaniline;2,4,6-trimethylaniline
CID 159725455
3-(4-amino-2,6-dimethylphenyl)benzaldehyde
CID 143071394

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2,6-dimethylphenyl)-3,5-dimethylaniline;boric acid?
The IUPAC name of 4-(4-amino-2,6-dimethylphenyl)-3,5-dimethylaniline;boric acid (CID 157485296) is 4-(4-amino-2,6-dimethylphenyl)-3,5-dimethylaniline;boric acid.
What is the SMILES notation for 4-(4-amino-2,6-dimethylphenyl)-3,5-dimethylaniline;boric acid?
The canonical SMILES for 4-(4-amino-2,6-dimethylphenyl)-3,5-dimethylaniline;boric acid is Cc1cc(N)cc(C)c1-c1c(C)cc(N)cc1C.OB(O)O.
What is the InChIKey of 4-(4-amino-2,6-dimethylphenyl)-3,5-dimethylaniline;boric acid?
The InChIKey is BWQJQUGNVPLDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2.BH3O3/c1-9-5-13(17)6-10(2)15(9)16-11(3)7-14(18)8-12(16)4;2-1(3)4/h5-8H,17-18H2,1-4H3;2-4H.
What are the key properties of 4-(4-amino-2,6-dimethylphenyl)-3,5-dimethylaniline;boric acid?
4-(4-amino-2,6-dimethylphenyl)-3,5-dimethylaniline;boric acid has a molecular weight of 302.18 g/mol, XLogP of 1.70, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,6-dimethylphenyl)-3,5-dimethylaniline;boric acid is sourced from PubChem (CID 157485296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).