[4-[tri(propan-2-yl)silyloxymethyl]phenyl]methanamine

C17H31NOSi — CID 101031711

IUPAC[4-[tri(propan-2-yl)silyloxymethyl]phenyl]methanamine
SMILESCC(C)[Si](OCc1ccc(CN)cc1)(C(C)C)C(C)C
InChIInChI=1S/C17H31NOSi/c1-13(2)20(14(3)4,15(5)6)19-12-17-9-7-16(11-18)8-10-17/h7-10,13-15H,11-12,18H2,1-6H3
InChIKeyBBOKYDNFRNSAPK-UHFFFAOYSA-N
MW293.53 g/mol
LogP4.84
Rot. Bonds7

About [4-[tri(propan-2-yl)silyloxymethyl]phenyl]methanamine

[4-[tri(propan-2-yl)silyloxymethyl]phenyl]methanamine (PubChem CID 101031711) has the molecular formula C17H31NOSi and a molecular weight of 293.53 g/mol. Its IUPAC name is [4-[tri(propan-2-yl)silyloxymethyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[tri(propan-2-yl)silyloxymethyl]phenyl]methanamine
PubChem CID101031711
Molecular FormulaC17H31NOSi
Molecular Weight293.53 g/mol
Exact Mass293.22
IUPAC Name[4-[tri(propan-2-yl)silyloxymethyl]phenyl]methanamine
SMILESCC(C)[Si](OCc1ccc(CN)cc1)(C(C)C)C(C)C
InChIInChI=1S/C17H31NOSi/c1-13(2)20(14(3)4,15(5)6)19-12-17-9-7-16(11-18)8-10-17/h7-10,13-15H,11-12,18H2,1-6H3
InChIKeyBBOKYDNFRNSAPK-UHFFFAOYSA-N
XLogP4.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.53
LogP ≤ 54.84
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-[tri(propan-2-yl)silyloxymethyl]phenyl]methanamine?
The IUPAC name of [4-[tri(propan-2-yl)silyloxymethyl]phenyl]methanamine (CID 101031711) is [4-[tri(propan-2-yl)silyloxymethyl]phenyl]methanamine.
What is the SMILES notation for [4-[tri(propan-2-yl)silyloxymethyl]phenyl]methanamine?
The canonical SMILES for [4-[tri(propan-2-yl)silyloxymethyl]phenyl]methanamine is CC(C)[Si](OCc1ccc(CN)cc1)(C(C)C)C(C)C.
What is the InChIKey of [4-[tri(propan-2-yl)silyloxymethyl]phenyl]methanamine?
The InChIKey is BBOKYDNFRNSAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NOSi/c1-13(2)20(14(3)4,15(5)6)19-12-17-9-7-16(11-18)8-10-17/h7-10,13-15H,11-12,18H2,1-6H3.
What are the key properties of [4-[tri(propan-2-yl)silyloxymethyl]phenyl]methanamine?
[4-[tri(propan-2-yl)silyloxymethyl]phenyl]methanamine has a molecular weight of 293.53 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tri(propan-2-yl)silyloxymethyl]phenyl]methanamine is sourced from PubChem (CID 101031711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).