N-[2-(3-bromophenyl)-3-trimethylsilylpropyl]-2-methylpropan-2-amine

C16H28BrNSi — CID 106323819

IUPACN-[2-(3-bromophenyl)-3-trimethylsilylpropyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(C[Si](C)(C)C)c1cccc(Br)c1
InChIInChI=1S/C16H28BrNSi/c1-16(2,3)18-11-14(12-19(4,5)6)13-8-7-9-15(17)10-13/h7-10,14,18H,11-12H2,1-6H3
InChIKeyXKIJUENMZCLAJO-UHFFFAOYSA-N
MW342.40 g/mol
LogP5.26
Rot. Bonds5

About N-[2-(3-bromophenyl)-3-trimethylsilylpropyl]-2-methylpropan-2-amine

N-[2-(3-bromophenyl)-3-trimethylsilylpropyl]-2-methylpropan-2-amine (PubChem CID 106323819) has the molecular formula C16H28BrNSi and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-3-trimethylsilylpropyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-3-trimethylsilylpropyl]-2-methylpropan-2-amine
PubChem CID106323819
Molecular FormulaC16H28BrNSi
Molecular Weight342.40 g/mol
Exact Mass341.12
IUPAC NameN-[2-(3-bromophenyl)-3-trimethylsilylpropyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(C[Si](C)(C)C)c1cccc(Br)c1
InChIInChI=1S/C16H28BrNSi/c1-16(2,3)18-11-14(12-19(4,5)6)13-8-7-9-15(17)10-13/h7-10,14,18H,11-12H2,1-6H3
InChIKeyXKIJUENMZCLAJO-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 55.26
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

N-[2-(3-bromophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine
CID 79442534
2-(3-bromophenyl)-N-propyl-3-trimethylsilylpropan-1-amine
CID 106323813
N-[2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propyl]-2-methylpropan-2-amine
CID 79430849
[2-(3-bromophenyl)-3-chloropropyl]-trimethylsilane
CID 106324242
2-(3-bromophenyl)-N-tert-butyl-4-(2-methylpropoxy)butan-1-amine
CID 106457162
N-[2-(3-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
CID 82870237
N-[2-(3-bromophenyl)-2-(3,3,3-trifluoropropoxy)ethyl]-2-methylpropan-2-amine
CID 82962979
N-methyl-2-(3-methylphenyl)-3-trimethylsilylpropan-1-amine
CID 106323720
3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol
CID 113362913
N-[2-(3-bromophenyl)-2-(4-methylpentoxy)ethyl]-2-methylpropan-2-amine
CID 63474821
N-[[3-[1-(3-bromophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66149676
N-[1-(3-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61166809

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-3-trimethylsilylpropyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(3-bromophenyl)-3-trimethylsilylpropyl]-2-methylpropan-2-amine (CID 106323819) is N-[2-(3-bromophenyl)-3-trimethylsilylpropyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(3-bromophenyl)-3-trimethylsilylpropyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(3-bromophenyl)-3-trimethylsilylpropyl]-2-methylpropan-2-amine is CC(C)(C)NCC(C[Si](C)(C)C)c1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromophenyl)-3-trimethylsilylpropyl]-2-methylpropan-2-amine?
The InChIKey is XKIJUENMZCLAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28BrNSi/c1-16(2,3)18-11-14(12-19(4,5)6)13-8-7-9-15(17)10-13/h7-10,14,18H,11-12H2,1-6H3.
What are the key properties of N-[2-(3-bromophenyl)-3-trimethylsilylpropyl]-2-methylpropan-2-amine?
N-[2-(3-bromophenyl)-3-trimethylsilylpropyl]-2-methylpropan-2-amine has a molecular weight of 342.40 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-3-trimethylsilylpropyl]-2-methylpropan-2-amine is sourced from PubChem (CID 106323819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).