2-[[dichloro(methyl)silyl]methyl]-3-methylaniline

C9H13Cl2NSi — CID 141420521

IUPAC2-[[dichloro(methyl)silyl]methyl]-3-methylaniline
SMILESCc1cccc(N)c1C[Si](C)(Cl)Cl
InChIInChI=1S/C9H13Cl2NSi/c1-7-4-3-5-9(12)8(7)6-13(2,10)11/h3-5H,6,12H2,1-2H3
InChIKeyCBWDEJLCQCYLJW-UHFFFAOYSA-N
MW234.20 g/mol
LogP3.21
Rot. Bonds2

About 2-[[dichloro(methyl)silyl]methyl]-3-methylaniline

2-[[dichloro(methyl)silyl]methyl]-3-methylaniline (PubChem CID 141420521) has the molecular formula C9H13Cl2NSi and a molecular weight of 234.20 g/mol. Its IUPAC name is 2-[[dichloro(methyl)silyl]methyl]-3-methylaniline.

Molecular Properties

Compound Name2-[[dichloro(methyl)silyl]methyl]-3-methylaniline
PubChem CID141420521
Molecular FormulaC9H13Cl2NSi
Molecular Weight234.20 g/mol
Exact Mass233.02
IUPAC Name2-[[dichloro(methyl)silyl]methyl]-3-methylaniline
SMILESCc1cccc(N)c1C[Si](C)(Cl)Cl
InChIInChI=1S/C9H13Cl2NSi/c1-7-4-3-5-9(12)8(7)6-13(2,10)11/h3-5H,6,12H2,1-2H3
InChIKeyCBWDEJLCQCYLJW-UHFFFAOYSA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-(2-methylpropyl)aniline
CID 21420803
2-[(4-chlorophenyl)methyl]-3-methylaniline
CID 70469771
(2-amino-6-methylphenyl)methanesulfinate
CID 89243020
4-(2-amino-6-methylphenyl)butanoic acid
CID 83853038
3-methylbenzene-1,2-diamine
CID 162019775
ethane;methanamine;2-methylaniline
CID 91356397
2-butyl-3-chloroaniline
CID 14012386
2,3-dimethylaniline;ethane
CID 142025904
bis(2-methylaniline);propane
CID 158079245
2,3-dimethylaniline;sulfur dioxide
CID 154998449
3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]aniline
CID 153085603
CID 67897123
CID 67897123

Frequently Asked Questions

What is the IUPAC name of 2-[[dichloro(methyl)silyl]methyl]-3-methylaniline?
The IUPAC name of 2-[[dichloro(methyl)silyl]methyl]-3-methylaniline (CID 141420521) is 2-[[dichloro(methyl)silyl]methyl]-3-methylaniline.
What is the SMILES notation for 2-[[dichloro(methyl)silyl]methyl]-3-methylaniline?
The canonical SMILES for 2-[[dichloro(methyl)silyl]methyl]-3-methylaniline is Cc1cccc(N)c1C[Si](C)(Cl)Cl.
What is the InChIKey of 2-[[dichloro(methyl)silyl]methyl]-3-methylaniline?
The InChIKey is CBWDEJLCQCYLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2NSi/c1-7-4-3-5-9(12)8(7)6-13(2,10)11/h3-5H,6,12H2,1-2H3.
What are the key properties of 2-[[dichloro(methyl)silyl]methyl]-3-methylaniline?
2-[[dichloro(methyl)silyl]methyl]-3-methylaniline has a molecular weight of 234.20 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[dichloro(methyl)silyl]methyl]-3-methylaniline is sourced from PubChem (CID 141420521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).