N-[(3-bromophenyl)methyl]-1-(4-trimethylsilylphenyl)methanamine

C17H22BrNSi — CID 103437645

IUPACN-[(3-bromophenyl)methyl]-1-(4-trimethylsilylphenyl)methanamine
SMILESC[Si](C)(C)c1ccc(CNCc2cccc(Br)c2)cc1
InChIInChI=1S/C17H22BrNSi/c1-20(2,3)17-9-7-14(8-10-17)12-19-13-15-5-4-6-16(18)11-15/h4-11,19H,12-13H2,1-3H3
InChIKeyJSQJTWFUXBFJSI-UHFFFAOYSA-N
MW348.36 g/mol
LogP4.28
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-1-(4-trimethylsilylphenyl)methanamine

N-[(3-bromophenyl)methyl]-1-(4-trimethylsilylphenyl)methanamine (PubChem CID 103437645) has the molecular formula C17H22BrNSi and a molecular weight of 348.36 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-(4-trimethylsilylphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-(4-trimethylsilylphenyl)methanamine
PubChem CID103437645
Molecular FormulaC17H22BrNSi
Molecular Weight348.36 g/mol
Exact Mass347.07
IUPAC NameN-[(3-bromophenyl)methyl]-1-(4-trimethylsilylphenyl)methanamine
SMILESC[Si](C)(C)c1ccc(CNCc2cccc(Br)c2)cc1
InChIInChI=1S/C17H22BrNSi/c1-20(2,3)17-9-7-14(8-10-17)12-19-13-15-5-4-6-16(18)11-15/h4-11,19H,12-13H2,1-3H3
InChIKeyJSQJTWFUXBFJSI-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 54.28
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-[(3-bromophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60700066
1-(3-bromophenyl)-N-[(3,5-dimethylphenyl)methyl]methanamine
CID 54984173
N-[(3-bromophenyl)methyl]-1-[4-(difluoromethyl)phenyl]methanamine
CID 115523883
1-(3-bromophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine
CID 79496120
1-(3-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine
CID 60705124
1-(3-bromophenyl)-N-(quinoxalin-6-ylmethyl)methanamine
CID 46344511
N-[(3-bromophenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694451
1-(3-bromophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine
CID 79419312
N-[(3-bromophenyl)methyl]-2-chloropropan-1-amine
CID 65024298
[4-[(3-bromophenyl)sulfanylmethyl]phenyl]-trimethylsilane
CID 103438773
N-[(3-bromophenyl)methyl]-3-chloro-2,2-dimethylpropan-1-amine
CID 115363415
4-[[(3-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 61400923

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-(4-trimethylsilylphenyl)methanamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-(4-trimethylsilylphenyl)methanamine (CID 103437645) is N-[(3-bromophenyl)methyl]-1-(4-trimethylsilylphenyl)methanamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-(4-trimethylsilylphenyl)methanamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-(4-trimethylsilylphenyl)methanamine is C[Si](C)(C)c1ccc(CNCc2cccc(Br)c2)cc1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-(4-trimethylsilylphenyl)methanamine?
The InChIKey is JSQJTWFUXBFJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNSi/c1-20(2,3)17-9-7-14(8-10-17)12-19-13-15-5-4-6-16(18)11-15/h4-11,19H,12-13H2,1-3H3.
What are the key properties of N-[(3-bromophenyl)methyl]-1-(4-trimethylsilylphenyl)methanamine?
N-[(3-bromophenyl)methyl]-1-(4-trimethylsilylphenyl)methanamine has a molecular weight of 348.36 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-(4-trimethylsilylphenyl)methanamine is sourced from PubChem (CID 103437645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).