4-fluoro-2-methoxy-N-[(4-trimethylsilylphenyl)methyl]aniline

C17H22FNOSi — CID 103437705

IUPAC4-fluoro-2-methoxy-N-[(4-trimethylsilylphenyl)methyl]aniline
SMILESCOc1cc(F)ccc1NCc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C17H22FNOSi/c1-20-17-11-14(18)7-10-16(17)19-12-13-5-8-15(9-6-13)21(2,3)4/h5-11,19H,12H2,1-4H3
InChIKeyHKOJFOMXOFUDPU-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.99
Rot. Bonds5

About 4-fluoro-2-methoxy-N-[(4-trimethylsilylphenyl)methyl]aniline

4-fluoro-2-methoxy-N-[(4-trimethylsilylphenyl)methyl]aniline (PubChem CID 103437705) has the molecular formula C17H22FNOSi and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-N-[(4-trimethylsilylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-methoxy-N-[(4-trimethylsilylphenyl)methyl]aniline
PubChem CID103437705
Molecular FormulaC17H22FNOSi
Molecular Weight303.45 g/mol
Exact Mass303.15
IUPAC Name4-fluoro-2-methoxy-N-[(4-trimethylsilylphenyl)methyl]aniline
SMILESCOc1cc(F)ccc1NCc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C17H22FNOSi/c1-20-17-11-14(18)7-10-16(17)19-12-13-5-8-15(9-6-13)21(2,3)4/h5-11,19H,12H2,1-4H3
InChIKeyHKOJFOMXOFUDPU-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-cyclopropylphenyl)methyl]-4-fluoro-2-methoxyaniline
CID 79978801
N-[(3-chloro-4-methylphenyl)methyl]-4-fluoro-2-methoxyaniline
CID 106816718
4-fluoro-2-methoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650115
2-[(4-fluoro-2-methoxyanilino)methyl]phenol
CID 54968351
5-fluoro-2-methoxy-N-(pyridin-4-ylmethyl)aniline
CID 82539421
4-fluoro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline
CID 54968306
4-fluoro-2-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 113242989
2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 54865900
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
4-fluoro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 55591594
4-fluoro-2-methoxy-N-[(3-nitrophenyl)methyl]aniline
CID 60961293
4-[(2-ethoxy-4-fluoroanilino)methyl]-2-methoxyphenol
CID 43730019

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-N-[(4-trimethylsilylphenyl)methyl]aniline?
The IUPAC name of 4-fluoro-2-methoxy-N-[(4-trimethylsilylphenyl)methyl]aniline (CID 103437705) is 4-fluoro-2-methoxy-N-[(4-trimethylsilylphenyl)methyl]aniline.
What is the SMILES notation for 4-fluoro-2-methoxy-N-[(4-trimethylsilylphenyl)methyl]aniline?
The canonical SMILES for 4-fluoro-2-methoxy-N-[(4-trimethylsilylphenyl)methyl]aniline is COc1cc(F)ccc1NCc1ccc([Si](C)(C)C)cc1.
What is the InChIKey of 4-fluoro-2-methoxy-N-[(4-trimethylsilylphenyl)methyl]aniline?
The InChIKey is HKOJFOMXOFUDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNOSi/c1-20-17-11-14(18)7-10-16(17)19-12-13-5-8-15(9-6-13)21(2,3)4/h5-11,19H,12H2,1-4H3.
What are the key properties of 4-fluoro-2-methoxy-N-[(4-trimethylsilylphenyl)methyl]aniline?
4-fluoro-2-methoxy-N-[(4-trimethylsilylphenyl)methyl]aniline has a molecular weight of 303.45 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-N-[(4-trimethylsilylphenyl)methyl]aniline is sourced from PubChem (CID 103437705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).