2-phenyl-N-[2-[5-(4-trimethoxysilylbutyl)-1H-pyrrol-3-yl]ethyl]ethanamine

C21H34N2O3Si — CID 57253205

IUPAC2-phenyl-N-[2-[5-(4-trimethoxysilylbutyl)-1H-pyrrol-3-yl]ethyl]ethanamine
SMILESCO[Si](CCCCc1cc(CCNCCc2ccccc2)c[nH]1)(OC)OC
InChIInChI=1S/C21H34N2O3Si/c1-24-27(25-2,26-3)16-8-7-11-21-17-20(18-23-21)13-15-22-14-12-19-9-5-4-6-10-19/h4-6,9-10,17-18,22-23H,7-8,11-16H2,1-3H3
InChIKeyUSZLCZDHHDCGFI-UHFFFAOYSA-N
MW390.60 g/mol
LogP3.59
Rot. Bonds14

About 2-phenyl-N-[2-[5-(4-trimethoxysilylbutyl)-1H-pyrrol-3-yl]ethyl]ethanamine

2-phenyl-N-[2-[5-(4-trimethoxysilylbutyl)-1H-pyrrol-3-yl]ethyl]ethanamine (PubChem CID 57253205) has the molecular formula C21H34N2O3Si and a molecular weight of 390.60 g/mol. Its IUPAC name is 2-phenyl-N-[2-[5-(4-trimethoxysilylbutyl)-1H-pyrrol-3-yl]ethyl]ethanamine.

Molecular Properties

Compound Name2-phenyl-N-[2-[5-(4-trimethoxysilylbutyl)-1H-pyrrol-3-yl]ethyl]ethanamine
PubChem CID57253205
Molecular FormulaC21H34N2O3Si
Molecular Weight390.60 g/mol
Exact Mass390.23
IUPAC Name2-phenyl-N-[2-[5-(4-trimethoxysilylbutyl)-1H-pyrrol-3-yl]ethyl]ethanamine
SMILESCO[Si](CCCCc1cc(CCNCCc2ccccc2)c[nH]1)(OC)OC
InChIInChI=1S/C21H34N2O3Si/c1-24-27(25-2,26-3)16-8-7-11-21-17-20(18-23-21)13-15-22-14-12-19-9-5-4-6-10-19/h4-6,9-10,17-18,22-23H,7-8,11-16H2,1-3H3
InChIKeyUSZLCZDHHDCGFI-UHFFFAOYSA-N
XLogP3.59
TPSA55.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.60
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trimethoxy(12-phenyldodecyl)silane
CID 54325157
N'-[2-[dimethoxy(2-phenylethyl)silyl]oxyethyl]ethane-1,2-diamine
CID 53427353
N-(2-phenylethyl)-4-trimethoxysilylbutanamide
CID 174613430
N'-[3-[dimethoxy(2-phenylethyl)silyl]oxypropyl]ethane-1,2-diamine
CID 66688681
N,N-bis(2-phenylethyl)-3-trimethoxysilylpropan-1-amine
CID 141324806
N'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride
CID 19829630
N'-[2-(4-ethenylphenyl)ethyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 151323239
N,N'-bis(2-phenylethyl)octane-1,8-diamine;dihydrobromide
CID 3029610
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
N,N'-bis(2-phenylethyl)heptane-1,7-diamine;dihydrobromide
CID 3028511
N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine
CID 11820597
N-[2-(2-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
CID 106261219

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-[5-(4-trimethoxysilylbutyl)-1H-pyrrol-3-yl]ethyl]ethanamine?
The IUPAC name of 2-phenyl-N-[2-[5-(4-trimethoxysilylbutyl)-1H-pyrrol-3-yl]ethyl]ethanamine (CID 57253205) is 2-phenyl-N-[2-[5-(4-trimethoxysilylbutyl)-1H-pyrrol-3-yl]ethyl]ethanamine.
What is the SMILES notation for 2-phenyl-N-[2-[5-(4-trimethoxysilylbutyl)-1H-pyrrol-3-yl]ethyl]ethanamine?
The canonical SMILES for 2-phenyl-N-[2-[5-(4-trimethoxysilylbutyl)-1H-pyrrol-3-yl]ethyl]ethanamine is CO[Si](CCCCc1cc(CCNCCc2ccccc2)c[nH]1)(OC)OC.
What is the InChIKey of 2-phenyl-N-[2-[5-(4-trimethoxysilylbutyl)-1H-pyrrol-3-yl]ethyl]ethanamine?
The InChIKey is USZLCZDHHDCGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3Si/c1-24-27(25-2,26-3)16-8-7-11-21-17-20(18-23-21)13-15-22-14-12-19-9-5-4-6-10-19/h4-6,9-10,17-18,22-23H,7-8,11-16H2,1-3H3.
What are the key properties of 2-phenyl-N-[2-[5-(4-trimethoxysilylbutyl)-1H-pyrrol-3-yl]ethyl]ethanamine?
2-phenyl-N-[2-[5-(4-trimethoxysilylbutyl)-1H-pyrrol-3-yl]ethyl]ethanamine has a molecular weight of 390.60 g/mol, XLogP of 3.59, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-[5-(4-trimethoxysilylbutyl)-1H-pyrrol-3-yl]ethyl]ethanamine is sourced from PubChem (CID 57253205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).