[1-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methanamine

C29H32Cl2N2OSi — CID 67675202

IUPAC[1-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methanamine
SMILESCC(C)(C)[Si](OCCc1c(Cl)ccc(-n2cccc2CN)c1Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H32Cl2N2OSi/c1-29(2,3)35(23-12-6-4-7-13-23,24-14-8-5-9-15-24)34-20-18-25-26(30)16-17-27(28(25)31)33-19-10-11-22(33)21-32/h4-17,19H,18,20-21,32H2,1-3H3
InChIKeyVXGCTXFLGAAEAR-UHFFFAOYSA-N
MW523.58 g/mol
LogP6.36
Rot. Bonds8

About [1-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methanamine

[1-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methanamine (PubChem CID 67675202) has the molecular formula C29H32Cl2N2OSi and a molecular weight of 523.58 g/mol. Its IUPAC name is [1-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methanamine.

Molecular Properties

Compound Name[1-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methanamine
PubChem CID67675202
Molecular FormulaC29H32Cl2N2OSi
Molecular Weight523.58 g/mol
Exact Mass522.17
IUPAC Name[1-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methanamine
SMILESCC(C)(C)[Si](OCCc1c(Cl)ccc(-n2cccc2CN)c1Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H32Cl2N2OSi/c1-29(2,3)35(23-12-6-4-7-13-23,24-14-8-5-9-15-24)34-20-18-25-26(30)16-17-27(28(25)31)33-19-10-11-22(33)21-32/h4-17,19H,18,20-21,32H2,1-3H3
InChIKeyVXGCTXFLGAAEAR-UHFFFAOYSA-N
XLogP6.36
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.58
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methyl]butanamide
CID 18321822
4-[(E)-3-[[1-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methylamino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 18321794
tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane
CID 54264356
2-(2-bromothiophen-3-yl)ethoxy-tert-butyl-diphenylsilane
CID 156828780
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
2-amino-N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide
CID 10720224
2-[tert-butyl(diphenyl)silyl]oxy-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]ethanamine
CID 11146292
tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane
CID 11142897
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-amine
CID 67471107
tert-butyl-[2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]quinolin-3-yl]ethoxy]-diphenylsilane
CID 71589861
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865

Frequently Asked Questions

What is the IUPAC name of [1-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methanamine?
The IUPAC name of [1-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methanamine (CID 67675202) is [1-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methanamine.
What is the SMILES notation for [1-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methanamine?
The canonical SMILES for [1-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methanamine is CC(C)(C)[Si](OCCc1c(Cl)ccc(-n2cccc2CN)c1Cl)(c1ccccc1)c1ccccc1.
What is the InChIKey of [1-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methanamine?
The InChIKey is VXGCTXFLGAAEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32Cl2N2OSi/c1-29(2,3)35(23-12-6-4-7-13-23,24-14-8-5-9-15-24)34-20-18-25-26(30)16-17-27(28(25)31)33-19-10-11-22(33)21-32/h4-17,19H,18,20-21,32H2,1-3H3.
What are the key properties of [1-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methanamine?
[1-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methanamine has a molecular weight of 523.58 g/mol, XLogP of 6.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methanamine is sourced from PubChem (CID 67675202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).