N-[tert-butyl(dimethyl)silyl]-3-chloroaniline

C12H20ClNSi — CID 91728644

IUPACN-[tert-butyl(dimethyl)silyl]-3-chloroaniline
SMILESCC(C)(C)[Si](C)(C)Nc1cccc(Cl)c1
InChIInChI=1S/C12H20ClNSi/c1-12(2,3)15(4,5)14-11-8-6-7-10(13)9-11/h6-9,14H,1-5H3
InChIKeyVNAWFLYJGAPSHA-UHFFFAOYSA-N
MW241.84 g/mol
LogP4.76
Rot. Bonds2

About N-[tert-butyl(dimethyl)silyl]-3-chloroaniline

N-[tert-butyl(dimethyl)silyl]-3-chloroaniline (PubChem CID 91728644) has the molecular formula C12H20ClNSi and a molecular weight of 241.84 g/mol. Its IUPAC name is N-[tert-butyl(dimethyl)silyl]-3-chloroaniline.

Molecular Properties

Compound NameN-[tert-butyl(dimethyl)silyl]-3-chloroaniline
PubChem CID91728644
Molecular FormulaC12H20ClNSi
Molecular Weight241.84 g/mol
Exact Mass241.11
IUPAC NameN-[tert-butyl(dimethyl)silyl]-3-chloroaniline
SMILESCC(C)(C)[Si](C)(C)Nc1cccc(Cl)c1
InChIInChI=1S/C12H20ClNSi/c1-12(2,3)15(4,5)14-11-8-6-7-10(13)9-11/h6-9,14H,1-5H3
InChIKeyVNAWFLYJGAPSHA-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.84
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-N-[tert-butyl(dimethyl)silyl]benzene-1,3-diamine
CID 91724211
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
1-N-(3-chlorophenyl)-2-methylpropane-1,2-diamine;hydrochloride
CID 156589611
N-(3-chlorophenyl)thiohydroxylamine
CID 154305883
3-chloro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline
CID 62597642
(3-chlorophenyl)hydrazine;dihydrochloride
CID 53402731
6-chloro-2-N-(3-chlorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 53418673
(2R)-1-(3-chloroanilino)propan-2-ol
CID 39237835
5-chloro-N-(3-chlorophenyl)pyridin-2-amine
CID 66217838
3-chloro-N-(2-methylsulfanylethyl)aniline
CID 62581736
1-(3-chloroanilino)propan-2-one
CID 21364413
3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941535

Frequently Asked Questions

What is the IUPAC name of N-[tert-butyl(dimethyl)silyl]-3-chloroaniline?
The IUPAC name of N-[tert-butyl(dimethyl)silyl]-3-chloroaniline (CID 91728644) is N-[tert-butyl(dimethyl)silyl]-3-chloroaniline.
What is the SMILES notation for N-[tert-butyl(dimethyl)silyl]-3-chloroaniline?
The canonical SMILES for N-[tert-butyl(dimethyl)silyl]-3-chloroaniline is CC(C)(C)[Si](C)(C)Nc1cccc(Cl)c1.
What is the InChIKey of N-[tert-butyl(dimethyl)silyl]-3-chloroaniline?
The InChIKey is VNAWFLYJGAPSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNSi/c1-12(2,3)15(4,5)14-11-8-6-7-10(13)9-11/h6-9,14H,1-5H3.
What are the key properties of N-[tert-butyl(dimethyl)silyl]-3-chloroaniline?
N-[tert-butyl(dimethyl)silyl]-3-chloroaniline has a molecular weight of 241.84 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(dimethyl)silyl]-3-chloroaniline is sourced from PubChem (CID 91728644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).