1-phenyl-N-trichlorosilyl-N-trimethylsilylethanamine

C11H18Cl3NSi2 — CID 71360479

IUPAC1-phenyl-N-trichlorosilyl-N-trimethylsilylethanamine
SMILESCC(c1ccccc1)N([Si](C)(C)C)[Si](Cl)(Cl)Cl
InChIInChI=1S/C11H18Cl3NSi2/c1-10(11-8-6-5-7-9-11)15(16(2,3)4)17(12,13)14/h5-10H,1-4H3
InChIKeyKEJBPOXJSSKXJP-UHFFFAOYSA-N
MW326.80 g/mol
LogP5.04
Rot. Bonds4

About 1-phenyl-N-trichlorosilyl-N-trimethylsilylethanamine

1-phenyl-N-trichlorosilyl-N-trimethylsilylethanamine (PubChem CID 71360479) has the molecular formula C11H18Cl3NSi2 and a molecular weight of 326.80 g/mol. Its IUPAC name is 1-phenyl-N-trichlorosilyl-N-trimethylsilylethanamine.

Molecular Properties

Compound Name1-phenyl-N-trichlorosilyl-N-trimethylsilylethanamine
PubChem CID71360479
Molecular FormulaC11H18Cl3NSi2
Molecular Weight326.80 g/mol
Exact Mass325.00
IUPAC Name1-phenyl-N-trichlorosilyl-N-trimethylsilylethanamine
SMILESCC(c1ccccc1)N([Si](C)(C)C)[Si](Cl)(Cl)Cl
InChIInChI=1S/C11H18Cl3NSi2/c1-10(11-8-6-5-7-9-11)15(16(2,3)4)17(12,13)14/h5-10H,1-4H3
InChIKeyKEJBPOXJSSKXJP-UHFFFAOYSA-N
XLogP5.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.80
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine
CID 139197887
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride
CID 141121906
N-methyl-1-phenyl-N-(trimethylsilylmethyl)ethanamine
CID 15113036
(1S)-N-methyl-1-phenyl-N-(trimethylsilylmethyl)ethanamine
CID 141001735
1-phenyl-N,N-bis(trimethylsilyl)but-2-en-1-amine
CID 67705905
(1R)-N-methanidyl-N-methyl-1-phenylethanamine
CID 59297896
N-methyl-N-[(1S)-1-phenylethyl]-1-trimethylsilylformamide
CID 102208486
N-(1-chloroethyl)-N-(1-phenylethyl)aniline
CID 21396778
trichloro(3-phenylbutyl)silane
CID 12887571
N,N-bis(2-chloroethyl)-1-phenylethanamine;hydrochloride
CID 138396559
N-[(chloro-methyl-phenylsilyl)methyl]-N-[(1S)-1-phenylethyl]acetamide
CID 101412504

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-trichlorosilyl-N-trimethylsilylethanamine?
The IUPAC name of 1-phenyl-N-trichlorosilyl-N-trimethylsilylethanamine (CID 71360479) is 1-phenyl-N-trichlorosilyl-N-trimethylsilylethanamine.
What is the SMILES notation for 1-phenyl-N-trichlorosilyl-N-trimethylsilylethanamine?
The canonical SMILES for 1-phenyl-N-trichlorosilyl-N-trimethylsilylethanamine is CC(c1ccccc1)N([Si](C)(C)C)[Si](Cl)(Cl)Cl.
What is the InChIKey of 1-phenyl-N-trichlorosilyl-N-trimethylsilylethanamine?
The InChIKey is KEJBPOXJSSKXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Cl3NSi2/c1-10(11-8-6-5-7-9-11)15(16(2,3)4)17(12,13)14/h5-10H,1-4H3.
What are the key properties of 1-phenyl-N-trichlorosilyl-N-trimethylsilylethanamine?
1-phenyl-N-trichlorosilyl-N-trimethylsilylethanamine has a molecular weight of 326.80 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-trichlorosilyl-N-trimethylsilylethanamine is sourced from PubChem (CID 71360479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).