5-methoxy-N-methyl-2-[2-tri(propan-2-yl)silylethynyl]aniline

C19H31NOSi — CID 175524097

IUPAC5-methoxy-N-methyl-2-[2-tri(propan-2-yl)silylethynyl]aniline
SMILESCNc1cc(OC)ccc1C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H31NOSi/c1-14(2)22(15(3)4,16(5)6)12-11-17-9-10-18(21-8)13-19(17)20-7/h9-10,13-16,20H,1-8H3
InChIKeyYNPMDHMDZGPKPD-UHFFFAOYSA-N
MW317.55 g/mol
LogP5.31
Rot. Bonds5

About 5-methoxy-N-methyl-2-[2-tri(propan-2-yl)silylethynyl]aniline

5-methoxy-N-methyl-2-[2-tri(propan-2-yl)silylethynyl]aniline (PubChem CID 175524097) has the molecular formula C19H31NOSi and a molecular weight of 317.55 g/mol. Its IUPAC name is 5-methoxy-N-methyl-2-[2-tri(propan-2-yl)silylethynyl]aniline.

Molecular Properties

Compound Name5-methoxy-N-methyl-2-[2-tri(propan-2-yl)silylethynyl]aniline
PubChem CID175524097
Molecular FormulaC19H31NOSi
Molecular Weight317.55 g/mol
Exact Mass317.22
IUPAC Name5-methoxy-N-methyl-2-[2-tri(propan-2-yl)silylethynyl]aniline
SMILESCNc1cc(OC)ccc1C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H31NOSi/c1-14(2)22(15(3)4,16(5)6)12-11-17-9-10-18(21-8)13-19(17)20-7/h9-10,13-16,20H,1-8H3
InChIKeyYNPMDHMDZGPKPD-UHFFFAOYSA-N
XLogP5.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.55
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-2-[2-tri(propan-2-yl)silylethynyl]aniline?
The IUPAC name of 5-methoxy-N-methyl-2-[2-tri(propan-2-yl)silylethynyl]aniline (CID 175524097) is 5-methoxy-N-methyl-2-[2-tri(propan-2-yl)silylethynyl]aniline.
What is the SMILES notation for 5-methoxy-N-methyl-2-[2-tri(propan-2-yl)silylethynyl]aniline?
The canonical SMILES for 5-methoxy-N-methyl-2-[2-tri(propan-2-yl)silylethynyl]aniline is CNc1cc(OC)ccc1C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 5-methoxy-N-methyl-2-[2-tri(propan-2-yl)silylethynyl]aniline?
The InChIKey is YNPMDHMDZGPKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NOSi/c1-14(2)22(15(3)4,16(5)6)12-11-17-9-10-18(21-8)13-19(17)20-7/h9-10,13-16,20H,1-8H3.
What are the key properties of 5-methoxy-N-methyl-2-[2-tri(propan-2-yl)silylethynyl]aniline?
5-methoxy-N-methyl-2-[2-tri(propan-2-yl)silylethynyl]aniline has a molecular weight of 317.55 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-2-[2-tri(propan-2-yl)silylethynyl]aniline is sourced from PubChem (CID 175524097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).