[4-(2-methylsilyloxan-2-yl)phenyl]methanamine

C13H21NOSi — CID 174455300

IUPAC[4-(2-methylsilyloxan-2-yl)phenyl]methanamine
SMILESC[SiH2]C1(c2ccc(CN)cc2)CCCCO1
InChIInChI=1S/C13H21NOSi/c1-16-13(8-2-3-9-15-13)12-6-4-11(10-14)5-7-12/h4-7H,2-3,8-10,14,16H2,1H3
InChIKeyCJIONLRVMRBLBG-UHFFFAOYSA-N
MW235.40 g/mol
LogP1.72
Rot. Bonds3

About [4-(2-methylsilyloxan-2-yl)phenyl]methanamine

[4-(2-methylsilyloxan-2-yl)phenyl]methanamine (PubChem CID 174455300) has the molecular formula C13H21NOSi and a molecular weight of 235.40 g/mol. Its IUPAC name is [4-(2-methylsilyloxan-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2-methylsilyloxan-2-yl)phenyl]methanamine
PubChem CID174455300
Molecular FormulaC13H21NOSi
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name[4-(2-methylsilyloxan-2-yl)phenyl]methanamine
SMILESC[SiH2]C1(c2ccc(CN)cc2)CCCCO1
InChIInChI=1S/C13H21NOSi/c1-16-13(8-2-3-9-15-13)12-6-4-11(10-14)5-7-12/h4-7H,2-3,8-10,14,16H2,1H3
InChIKeyCJIONLRVMRBLBG-UHFFFAOYSA-N
XLogP1.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylsilyloxan-2-yl)phenyl]methanamine?
The IUPAC name of [4-(2-methylsilyloxan-2-yl)phenyl]methanamine (CID 174455300) is [4-(2-methylsilyloxan-2-yl)phenyl]methanamine.
What is the SMILES notation for [4-(2-methylsilyloxan-2-yl)phenyl]methanamine?
The canonical SMILES for [4-(2-methylsilyloxan-2-yl)phenyl]methanamine is C[SiH2]C1(c2ccc(CN)cc2)CCCCO1.
What is the InChIKey of [4-(2-methylsilyloxan-2-yl)phenyl]methanamine?
The InChIKey is CJIONLRVMRBLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOSi/c1-16-13(8-2-3-9-15-13)12-6-4-11(10-14)5-7-12/h4-7H,2-3,8-10,14,16H2,1H3.
What are the key properties of [4-(2-methylsilyloxan-2-yl)phenyl]methanamine?
[4-(2-methylsilyloxan-2-yl)phenyl]methanamine has a molecular weight of 235.40 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylsilyloxan-2-yl)phenyl]methanamine is sourced from PubChem (CID 174455300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).