(1R)-1-(4-trimethylsilyloxyphenyl)prop-2-en-1-amine

C12H19NOSi — CID 171207296

IUPAC(1R)-1-(4-trimethylsilyloxyphenyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1ccc(O[Si](C)(C)C)cc1
InChIInChI=1S/C12H19NOSi/c1-5-12(13)10-6-8-11(9-7-10)14-15(2,3)4/h5-9,12H,1,13H2,2-4H3/t12-/m1/s1
InChIKeySMZYCULQSJZPLD-GFCCVEGCSA-N
MW221.38 g/mol
LogP3.09
Rot. Bonds4

About (1R)-1-(4-trimethylsilyloxyphenyl)prop-2-en-1-amine

(1R)-1-(4-trimethylsilyloxyphenyl)prop-2-en-1-amine (PubChem CID 171207296) has the molecular formula C12H19NOSi and a molecular weight of 221.38 g/mol. Its IUPAC name is (1R)-1-(4-trimethylsilyloxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-trimethylsilyloxyphenyl)prop-2-en-1-amine
PubChem CID171207296
Molecular FormulaC12H19NOSi
Molecular Weight221.38 g/mol
Exact Mass221.12
IUPAC Name(1R)-1-(4-trimethylsilyloxyphenyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1ccc(O[Si](C)(C)C)cc1
InChIInChI=1S/C12H19NOSi/c1-5-12(13)10-6-8-11(9-7-10)14-15(2,3)4/h5-9,12H,1,13H2,2-4H3/t12-/m1/s1
InChIKeySMZYCULQSJZPLD-GFCCVEGCSA-N
XLogP3.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(4-trimethylsilyloxyphenyl)ethanamine
CID 131081416
trimethyl-[4-[1,2,2-tris(4-trimethylsilyloxyphenyl)ethyl]phenoxy]silane
CID 139887552
(1S)-2,2-difluoro-1-(4-trimethylsilyloxyphenyl)ethanamine
CID 171248838
(1S)-1-(4-trimethylsilyloxyphenyl)butan-1-amine
CID 171226872
(1R)-2,2,2-trifluoro-1-(4-trimethylsilyloxyphenyl)ethanamine;hydrochloride
CID 171242111
(R)-cyclopropyl-(4-trimethylsilyloxyphenyl)methanamine
CID 171207318
(1R,2S)-1-amino-3-methyl-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride
CID 171263209
(1R)-2,2,3,3,3-pentafluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine
CID 171312443
1-pyridin-4-ylprop-2-en-1-amine
CID 55293732
1-(4-chlorophenyl)prop-2-en-1-amine
CID 12987192
(1S)-1-(4-tert-butylphenyl)prop-2-en-1-amine;hydrochloride
CID 171221389
(1S)-3,3-difluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine;hydrochloride
CID 171313104

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-trimethylsilyloxyphenyl)prop-2-en-1-amine?
The IUPAC name of (1R)-1-(4-trimethylsilyloxyphenyl)prop-2-en-1-amine (CID 171207296) is (1R)-1-(4-trimethylsilyloxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for (1R)-1-(4-trimethylsilyloxyphenyl)prop-2-en-1-amine?
The canonical SMILES for (1R)-1-(4-trimethylsilyloxyphenyl)prop-2-en-1-amine is C=C[C@@H](N)c1ccc(O[Si](C)(C)C)cc1.
What is the InChIKey of (1R)-1-(4-trimethylsilyloxyphenyl)prop-2-en-1-amine?
The InChIKey is SMZYCULQSJZPLD-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H19NOSi/c1-5-12(13)10-6-8-11(9-7-10)14-15(2,3)4/h5-9,12H,1,13H2,2-4H3/t12-/m1/s1.
What are the key properties of (1R)-1-(4-trimethylsilyloxyphenyl)prop-2-en-1-amine?
(1R)-1-(4-trimethylsilyloxyphenyl)prop-2-en-1-amine has a molecular weight of 221.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-trimethylsilyloxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 171207296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).