2-(4-chlorophenyl)-3-trimethylsilylpropan-1-amine

C12H20ClNSi — CID 106323760

IUPAC2-(4-chlorophenyl)-3-trimethylsilylpropan-1-amine
SMILESC[Si](C)(C)CC(CN)c1ccc(Cl)cc1
InChIInChI=1S/C12H20ClNSi/c1-15(2,3)9-11(8-14)10-4-6-12(13)7-5-10/h4-7,11H,8-9,14H2,1-3H3
InChIKeyAUHPMSFIEWXDKB-UHFFFAOYSA-N
MW241.84 g/mol
LogP3.72
Rot. Bonds4

About 2-(4-chlorophenyl)-3-trimethylsilylpropan-1-amine

2-(4-chlorophenyl)-3-trimethylsilylpropan-1-amine (PubChem CID 106323760) has the molecular formula C12H20ClNSi and a molecular weight of 241.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-trimethylsilylpropan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-trimethylsilylpropan-1-amine
PubChem CID106323760
Molecular FormulaC12H20ClNSi
Molecular Weight241.84 g/mol
Exact Mass241.11
IUPAC Name2-(4-chlorophenyl)-3-trimethylsilylpropan-1-amine
SMILESC[Si](C)(C)CC(CN)c1ccc(Cl)cc1
InChIInChI=1S/C12H20ClNSi/c1-15(2,3)9-11(8-14)10-4-6-12(13)7-5-10/h4-7,11H,8-9,14H2,1-3H3
InChIKeyAUHPMSFIEWXDKB-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.84
LogP ≤ 53.72
H-Bond Donors ≤ 51
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 2-(4-chlorophenyl)-3-trimethylsilylpropan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-3-trimethylsilylpropan-1-amine (CID 106323760) is 2-(4-chlorophenyl)-3-trimethylsilylpropan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-trimethylsilylpropan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-3-trimethylsilylpropan-1-amine is C[Si](C)(C)CC(CN)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-trimethylsilylpropan-1-amine?
The InChIKey is AUHPMSFIEWXDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNSi/c1-15(2,3)9-11(8-14)10-4-6-12(13)7-5-10/h4-7,11H,8-9,14H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-3-trimethylsilylpropan-1-amine?
2-(4-chlorophenyl)-3-trimethylsilylpropan-1-amine has a molecular weight of 241.84 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-trimethylsilylpropan-1-amine is sourced from PubChem (CID 106323760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).