N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-(4-trimethylsilylphenyl)methanamine

C16H22ClNSSi — CID 103438323

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-(4-trimethylsilylphenyl)methanamine
SMILESCN(Cc1ccc([Si](C)(C)C)cc1)Cc1ccc(Cl)s1
InChIInChI=1S/C16H22ClNSSi/c1-18(12-14-7-10-16(17)19-14)11-13-5-8-15(9-6-13)20(2,3)4/h5-10H,11-12H2,1-4H3
InChIKeyMKHHGBAPOSKGLN-UHFFFAOYSA-N
MW323.97 g/mol
LogP4.58
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-(4-trimethylsilylphenyl)methanamine

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-(4-trimethylsilylphenyl)methanamine (PubChem CID 103438323) has the molecular formula C16H22ClNSSi and a molecular weight of 323.97 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-(4-trimethylsilylphenyl)methanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-(4-trimethylsilylphenyl)methanamine
PubChem CID103438323
Molecular FormulaC16H22ClNSSi
Molecular Weight323.97 g/mol
Exact Mass323.09
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-(4-trimethylsilylphenyl)methanamine
SMILESCN(Cc1ccc([Si](C)(C)C)cc1)Cc1ccc(Cl)s1
InChIInChI=1S/C16H22ClNSSi/c1-18(12-14-7-10-16(17)19-14)11-13-5-8-15(9-6-13)20(2,3)4/h5-10H,11-12H2,1-4H3
InChIKeyMKHHGBAPOSKGLN-UHFFFAOYSA-N
XLogP4.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.97
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(thiophen-2-ylmethyl)-1-(4-trimethylsilylphenyl)methanamine
CID 103438291
2-amino-4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]phenol
CID 61438284
2-bromo-5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]aniline
CID 113335086
1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine
CID 107556205
1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260926
5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79771653
4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 63883391
[(5-chlorothiophen-2-yl)methyl-methylamino]methyl-trifluoroboranuide
CID 63705419
6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 34704927
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine
CID 107556200
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 107556204

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-(4-trimethylsilylphenyl)methanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-(4-trimethylsilylphenyl)methanamine (CID 103438323) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-(4-trimethylsilylphenyl)methanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-(4-trimethylsilylphenyl)methanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-(4-trimethylsilylphenyl)methanamine is CN(Cc1ccc([Si](C)(C)C)cc1)Cc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-(4-trimethylsilylphenyl)methanamine?
The InChIKey is MKHHGBAPOSKGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNSSi/c1-18(12-14-7-10-16(17)19-14)11-13-5-8-15(9-6-13)20(2,3)4/h5-10H,11-12H2,1-4H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-(4-trimethylsilylphenyl)methanamine?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-(4-trimethylsilylphenyl)methanamine has a molecular weight of 323.97 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-(4-trimethylsilylphenyl)methanamine is sourced from PubChem (CID 103438323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).