N-[(E)-4-[dichloro(ethyl)silyl]but-3-en-2-yl]aniline

C12H17Cl2NSi — CID 13027464

IUPACN-[(E)-4-[dichloro(ethyl)silyl]but-3-en-2-yl]aniline
SMILESCC[Si](Cl)(Cl)/C=C/C(C)Nc1ccccc1
InChIInChI=1S/C12H17Cl2NSi/c1-3-16(13,14)10-9-11(2)15-12-7-5-4-6-8-12/h4-11,15H,3H2,1-2H3/b10-9+
InChIKeyFIEXEPNXXGOYNU-MDZDMXLPSA-N
MW274.27 g/mol
LogP4.52
Rot. Bonds5

About N-[(E)-4-[dichloro(ethyl)silyl]but-3-en-2-yl]aniline

N-[(E)-4-[dichloro(ethyl)silyl]but-3-en-2-yl]aniline (PubChem CID 13027464) has the molecular formula C12H17Cl2NSi and a molecular weight of 274.27 g/mol. Its IUPAC name is N-[(E)-4-[dichloro(ethyl)silyl]but-3-en-2-yl]aniline.

Molecular Properties

Compound NameN-[(E)-4-[dichloro(ethyl)silyl]but-3-en-2-yl]aniline
PubChem CID13027464
Molecular FormulaC12H17Cl2NSi
Molecular Weight274.27 g/mol
Exact Mass273.05
IUPAC NameN-[(E)-4-[dichloro(ethyl)silyl]but-3-en-2-yl]aniline
SMILESCC[Si](Cl)(Cl)/C=C/C(C)Nc1ccccc1
InChIInChI=1S/C12H17Cl2NSi/c1-3-16(13,14)10-9-11(2)15-12-7-5-4-6-8-12/h4-11,15H,3H2,1-2H3/b10-9+
InChIKeyFIEXEPNXXGOYNU-MDZDMXLPSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 54.52
H-Bond Donors ≤ 51
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

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CID 88908793
2-anilino-3-ethylpentan-1-ol
CID 61317721
N-[(1S,2R)-2-methyl-1-phenylbutyl]aniline
CID 10837600
N-(1-propoxyethyl)aniline
CID 173276827
1-N-phenyl-1-N',1-N'-dipropylethane-1,1-diamine
CID 23460299
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CID 10646032
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CID 88759522

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-[dichloro(ethyl)silyl]but-3-en-2-yl]aniline?
The IUPAC name of N-[(E)-4-[dichloro(ethyl)silyl]but-3-en-2-yl]aniline (CID 13027464) is N-[(E)-4-[dichloro(ethyl)silyl]but-3-en-2-yl]aniline.
What is the SMILES notation for N-[(E)-4-[dichloro(ethyl)silyl]but-3-en-2-yl]aniline?
The canonical SMILES for N-[(E)-4-[dichloro(ethyl)silyl]but-3-en-2-yl]aniline is CC[Si](Cl)(Cl)/C=C/C(C)Nc1ccccc1.
What is the InChIKey of N-[(E)-4-[dichloro(ethyl)silyl]but-3-en-2-yl]aniline?
The InChIKey is FIEXEPNXXGOYNU-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H17Cl2NSi/c1-3-16(13,14)10-9-11(2)15-12-7-5-4-6-8-12/h4-11,15H,3H2,1-2H3/b10-9+.
What are the key properties of N-[(E)-4-[dichloro(ethyl)silyl]but-3-en-2-yl]aniline?
N-[(E)-4-[dichloro(ethyl)silyl]but-3-en-2-yl]aniline has a molecular weight of 274.27 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-[dichloro(ethyl)silyl]but-3-en-2-yl]aniline is sourced from PubChem (CID 13027464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).