N,N-dimethyl-1-(2-methylphenyl)-1-triphenylsilylmethanamine

C28H29NSi — CID 12549245

IUPACN,N-dimethyl-1-(2-methylphenyl)-1-triphenylsilylmethanamine
SMILESCc1ccccc1C(N(C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H29NSi/c1-23-15-13-14-22-27(23)28(29(2)3)30(24-16-7-4-8-17-24,25-18-9-5-10-19-25)26-20-11-6-12-21-26/h4-22,28H,1-3H3
InChIKeyAUOCRIHSXKIPNN-UHFFFAOYSA-N
MW407.63 g/mol
LogP4.31
Rot. Bonds6

About N,N-dimethyl-1-(2-methylphenyl)-1-triphenylsilylmethanamine

N,N-dimethyl-1-(2-methylphenyl)-1-triphenylsilylmethanamine (PubChem CID 12549245) has the molecular formula C28H29NSi and a molecular weight of 407.63 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-methylphenyl)-1-triphenylsilylmethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-methylphenyl)-1-triphenylsilylmethanamine
PubChem CID12549245
Molecular FormulaC28H29NSi
Molecular Weight407.63 g/mol
Exact Mass407.21
IUPAC NameN,N-dimethyl-1-(2-methylphenyl)-1-triphenylsilylmethanamine
SMILESCc1ccccc1C(N(C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H29NSi/c1-23-15-13-14-22-27(23)28(29(2)3)30(24-16-7-4-8-17-24,25-18-9-5-10-19-25)26-20-11-6-12-21-26/h4-22,28H,1-3H3
InChIKeyAUOCRIHSXKIPNN-UHFFFAOYSA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.63
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-methylphenyl)-1-triphenylsilylmethanamine?
The IUPAC name of N,N-dimethyl-1-(2-methylphenyl)-1-triphenylsilylmethanamine (CID 12549245) is N,N-dimethyl-1-(2-methylphenyl)-1-triphenylsilylmethanamine.
What is the SMILES notation for N,N-dimethyl-1-(2-methylphenyl)-1-triphenylsilylmethanamine?
The canonical SMILES for N,N-dimethyl-1-(2-methylphenyl)-1-triphenylsilylmethanamine is Cc1ccccc1C(N(C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-1-(2-methylphenyl)-1-triphenylsilylmethanamine?
The InChIKey is AUOCRIHSXKIPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NSi/c1-23-15-13-14-22-27(23)28(29(2)3)30(24-16-7-4-8-17-24,25-18-9-5-10-19-25)26-20-11-6-12-21-26/h4-22,28H,1-3H3.
What are the key properties of N,N-dimethyl-1-(2-methylphenyl)-1-triphenylsilylmethanamine?
N,N-dimethyl-1-(2-methylphenyl)-1-triphenylsilylmethanamine has a molecular weight of 407.63 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-methylphenyl)-1-triphenylsilylmethanamine is sourced from PubChem (CID 12549245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).