(S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine

C17H20F3NO2Si — CID 171242116

IUPAC(S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine
SMILESC[Si](C)(C)Oc1ccc([C@@H](N)c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C17H20F3NO2Si/c1-24(2,3)23-15-10-6-13(7-11-15)16(21)12-4-8-14(9-5-12)22-17(18,19)20/h4-11,16H,21H2,1-3H3/t16-/m0/s1
InChIKeyUHMYCUHUSIGXKQ-INIZCTEOSA-N
MW355.43 g/mol
LogP4.85
Rot. Bonds5

About (S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine

(S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine (PubChem CID 171242116) has the molecular formula C17H20F3NO2Si and a molecular weight of 355.43 g/mol. Its IUPAC name is (S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine.

Molecular Properties

Compound Name(S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine
PubChem CID171242116
Molecular FormulaC17H20F3NO2Si
Molecular Weight355.43 g/mol
Exact Mass355.12
IUPAC Name(S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine
SMILESC[Si](C)(C)Oc1ccc([C@@H](N)c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C17H20F3NO2Si/c1-24(2,3)23-15-10-6-13(7-11-15)16(21)12-4-8-14(9-5-12)22-17(18,19)20/h4-11,16H,21H2,1-3H3/t16-/m0/s1
InChIKeyUHMYCUHUSIGXKQ-INIZCTEOSA-N
XLogP4.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240272
(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246372
(R)-(4-propan-2-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171239714
(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245927
(R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239826
(1R)-2,2,2-trifluoro-1-(4-trimethylsilyloxyphenyl)ethanamine;hydrochloride
CID 171242111
(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 116628508
(1R)-2,2,3,3,3-pentafluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine
CID 171312443
(3-fluoro-5-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 105016494
(S)-(6-methoxynaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239323
(R)-(3,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246015
(1S)-2,2-difluoro-1-(4-trimethylsilyloxyphenyl)ethanamine
CID 171248838

Frequently Asked Questions

What is the IUPAC name of (S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine?
The IUPAC name of (S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine (CID 171242116) is (S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine.
What is the SMILES notation for (S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine?
The canonical SMILES for (S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine is C[Si](C)(C)Oc1ccc([C@@H](N)c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of (S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine?
The InChIKey is UHMYCUHUSIGXKQ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20F3NO2Si/c1-24(2,3)23-15-10-6-13(7-11-15)16(21)12-4-8-14(9-5-12)22-17(18,19)20/h4-11,16H,21H2,1-3H3/t16-/m0/s1.
What are the key properties of (S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine?
(S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine has a molecular weight of 355.43 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine is sourced from PubChem (CID 171242116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).