3-[(4-chlorophenyl)-methyl-phenylsilyl]-N,N-diethylpropan-1-amine

C20H28ClNSi — CID 3049050

IUPAC3-[(4-chlorophenyl)-methyl-phenylsilyl]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCC[Si](C)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H28ClNSi/c1-4-22(5-2)16-9-17-23(3,19-10-7-6-8-11-19)20-14-12-18(21)13-15-20/h6-8,10-15H,4-5,9,16-17H2,1-3H3
InChIKeyHPKKZMNJVLBBFP-UHFFFAOYSA-N
MW345.99 g/mol
LogP4.26
Rot. Bonds8

About 3-[(4-chlorophenyl)-methyl-phenylsilyl]-N,N-diethylpropan-1-amine

3-[(4-chlorophenyl)-methyl-phenylsilyl]-N,N-diethylpropan-1-amine (PubChem CID 3049050) has the molecular formula C20H28ClNSi and a molecular weight of 345.99 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)-methyl-phenylsilyl]-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)-methyl-phenylsilyl]-N,N-diethylpropan-1-amine
PubChem CID3049050
Molecular FormulaC20H28ClNSi
Molecular Weight345.99 g/mol
Exact Mass345.17
IUPAC Name3-[(4-chlorophenyl)-methyl-phenylsilyl]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCC[Si](C)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H28ClNSi/c1-4-22(5-2)16-9-17-23(3,19-10-7-6-8-11-19)20-14-12-18(21)13-15-20/h6-8,10-15H,4-5,9,16-17H2,1-3H3
InChIKeyHPKKZMNJVLBBFP-UHFFFAOYSA-N
XLogP4.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.99
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-[(4-chlorophenyl)-methyl-phenylsilyl]-N,N-diethylpropan-1-amine?
The IUPAC name of 3-[(4-chlorophenyl)-methyl-phenylsilyl]-N,N-diethylpropan-1-amine (CID 3049050) is 3-[(4-chlorophenyl)-methyl-phenylsilyl]-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-[(4-chlorophenyl)-methyl-phenylsilyl]-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-[(4-chlorophenyl)-methyl-phenylsilyl]-N,N-diethylpropan-1-amine is CCN(CC)CCC[Si](C)(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)-methyl-phenylsilyl]-N,N-diethylpropan-1-amine?
The InChIKey is HPKKZMNJVLBBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClNSi/c1-4-22(5-2)16-9-17-23(3,19-10-7-6-8-11-19)20-14-12-18(21)13-15-20/h6-8,10-15H,4-5,9,16-17H2,1-3H3.
What are the key properties of 3-[(4-chlorophenyl)-methyl-phenylsilyl]-N,N-diethylpropan-1-amine?
3-[(4-chlorophenyl)-methyl-phenylsilyl]-N,N-diethylpropan-1-amine has a molecular weight of 345.99 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)-methyl-phenylsilyl]-N,N-diethylpropan-1-amine is sourced from PubChem (CID 3049050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).