(1S)-1-(4-trimethylsilyloxyphenyl)butan-1-amine

C13H23NOSi — CID 171226872

IUPAC(1S)-1-(4-trimethylsilyloxyphenyl)butan-1-amine
SMILESCCC[C@H](N)c1ccc(O[Si](C)(C)C)cc1
InChIInChI=1S/C13H23NOSi/c1-5-6-13(14)11-7-9-12(10-8-11)15-16(2,3)4/h7-10,13H,5-6,14H2,1-4H3/t13-/m0/s1
InChIKeyZIVMSFQPQKGKCC-ZDUSSCGKSA-N
MW237.42 g/mol
LogP3.70
Rot. Bonds5

About (1S)-1-(4-trimethylsilyloxyphenyl)butan-1-amine

(1S)-1-(4-trimethylsilyloxyphenyl)butan-1-amine (PubChem CID 171226872) has the molecular formula C13H23NOSi and a molecular weight of 237.42 g/mol. Its IUPAC name is (1S)-1-(4-trimethylsilyloxyphenyl)butan-1-amine.

Molecular Properties

Compound Name(1S)-1-(4-trimethylsilyloxyphenyl)butan-1-amine
PubChem CID171226872
Molecular FormulaC13H23NOSi
Molecular Weight237.42 g/mol
Exact Mass237.15
IUPAC Name(1S)-1-(4-trimethylsilyloxyphenyl)butan-1-amine
SMILESCCC[C@H](N)c1ccc(O[Si](C)(C)C)cc1
InChIInChI=1S/C13H23NOSi/c1-5-6-13(14)11-7-9-12(10-8-11)15-16(2,3)4/h7-10,13H,5-6,14H2,1-4H3/t13-/m0/s1
InChIKeyZIVMSFQPQKGKCC-ZDUSSCGKSA-N
XLogP3.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.42
LogP ≤ 53.70
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

(1S)-1-(4-trimethylsilyloxyphenyl)pentan-1-amine;hydrochloride
CID 171226877
(1S)-3,3-difluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine;hydrochloride
CID 171313104
(1S)-1-(4-trimethylsilyloxyphenyl)ethanamine
CID 131081416
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine
CID 78960974
1-[4-(3-methylbutoxy)phenyl]butan-1-amine
CID 153373818
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-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-amine
CID 171228244
(1R,2S)-1-amino-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride
CID 171263199
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine;hydrochloride
CID 171200402
4-[(1S)-1-aminobutyl]aniline;dihydrochloride
CID 53484663
ethyl (3S)-3-amino-2-fluoro-3-(4-trimethylsilyloxyphenyl)propanoate;hydrochloride
CID 171248851

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-trimethylsilyloxyphenyl)butan-1-amine?
The IUPAC name of (1S)-1-(4-trimethylsilyloxyphenyl)butan-1-amine (CID 171226872) is (1S)-1-(4-trimethylsilyloxyphenyl)butan-1-amine.
What is the SMILES notation for (1S)-1-(4-trimethylsilyloxyphenyl)butan-1-amine?
The canonical SMILES for (1S)-1-(4-trimethylsilyloxyphenyl)butan-1-amine is CCC[C@H](N)c1ccc(O[Si](C)(C)C)cc1.
What is the InChIKey of (1S)-1-(4-trimethylsilyloxyphenyl)butan-1-amine?
The InChIKey is ZIVMSFQPQKGKCC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H23NOSi/c1-5-6-13(14)11-7-9-12(10-8-11)15-16(2,3)4/h7-10,13H,5-6,14H2,1-4H3/t13-/m0/s1.
What are the key properties of (1S)-1-(4-trimethylsilyloxyphenyl)butan-1-amine?
(1S)-1-(4-trimethylsilyloxyphenyl)butan-1-amine has a molecular weight of 237.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-trimethylsilyloxyphenyl)butan-1-amine is sourced from PubChem (CID 171226872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).