4-(aminomethyl)-2-tri(propan-2-yl)silyloxyaniline

C16H30N2OSi — CID 59300340

IUPAC4-(aminomethyl)-2-tri(propan-2-yl)silyloxyaniline
SMILESCC(C)[Si](Oc1cc(CN)ccc1N)(C(C)C)C(C)C
InChIInChI=1S/C16H30N2OSi/c1-11(2)20(12(3)4,13(5)6)19-16-9-14(10-17)7-8-15(16)18/h7-9,11-13H,10,17-18H2,1-6H3
InChIKeyFSXSSNJTQRELMN-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.28
Rot. Bonds6

About 4-(aminomethyl)-2-tri(propan-2-yl)silyloxyaniline

4-(aminomethyl)-2-tri(propan-2-yl)silyloxyaniline (PubChem CID 59300340) has the molecular formula C16H30N2OSi and a molecular weight of 294.51 g/mol. Its IUPAC name is 4-(aminomethyl)-2-tri(propan-2-yl)silyloxyaniline.

Molecular Properties

Compound Name4-(aminomethyl)-2-tri(propan-2-yl)silyloxyaniline
PubChem CID59300340
Molecular FormulaC16H30N2OSi
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name4-(aminomethyl)-2-tri(propan-2-yl)silyloxyaniline
SMILESCC(C)[Si](Oc1cc(CN)ccc1N)(C(C)C)C(C)C
InChIInChI=1S/C16H30N2OSi/c1-11(2)20(12(3)4,13(5)6)19-16-9-14(10-17)7-8-15(16)18/h7-9,11-13H,10,17-18H2,1-6H3
InChIKeyFSXSSNJTQRELMN-UHFFFAOYSA-N
XLogP4.28
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-tri(propan-2-yl)silyloxyaniline?
The IUPAC name of 4-(aminomethyl)-2-tri(propan-2-yl)silyloxyaniline (CID 59300340) is 4-(aminomethyl)-2-tri(propan-2-yl)silyloxyaniline.
What is the SMILES notation for 4-(aminomethyl)-2-tri(propan-2-yl)silyloxyaniline?
The canonical SMILES for 4-(aminomethyl)-2-tri(propan-2-yl)silyloxyaniline is CC(C)[Si](Oc1cc(CN)ccc1N)(C(C)C)C(C)C.
What is the InChIKey of 4-(aminomethyl)-2-tri(propan-2-yl)silyloxyaniline?
The InChIKey is FSXSSNJTQRELMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OSi/c1-11(2)20(12(3)4,13(5)6)19-16-9-14(10-17)7-8-15(16)18/h7-9,11-13H,10,17-18H2,1-6H3.
What are the key properties of 4-(aminomethyl)-2-tri(propan-2-yl)silyloxyaniline?
4-(aminomethyl)-2-tri(propan-2-yl)silyloxyaniline has a molecular weight of 294.51 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-tri(propan-2-yl)silyloxyaniline is sourced from PubChem (CID 59300340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).