(2S)-2-phenyl-2-[[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]amino]ethanol

C17H29NOSi — CID 102006794

IUPAC(2S)-2-phenyl-2-[[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]amino]ethanol
SMILESC=C[C@H]([C@@H](CC)N[C@H](CO)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C17H29NOSi/c1-6-15(17(7-2)20(3,4)5)18-16(13-19)14-11-9-8-10-12-14/h7-12,15-19H,2,6,13H2,1,3-5H3/t15-,16-,17-/m1/s1
InChIKeyJNBXHQHNYGCPDT-BRWVUGGUSA-N
MW291.51 g/mol
LogP3.98
Rot. Bonds8

About (2S)-2-phenyl-2-[[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]amino]ethanol

(2S)-2-phenyl-2-[[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]amino]ethanol (PubChem CID 102006794) has the molecular formula C17H29NOSi and a molecular weight of 291.51 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]amino]ethanol.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]amino]ethanol
PubChem CID102006794
Molecular FormulaC17H29NOSi
Molecular Weight291.51 g/mol
Exact Mass291.20
IUPAC Name(2S)-2-phenyl-2-[[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]amino]ethanol
SMILESC=C[C@H]([C@@H](CC)N[C@H](CO)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C17H29NOSi/c1-6-15(17(7-2)20(3,4)5)18-16(13-19)14-11-9-8-10-12-14/h7-12,15-19H,2,6,13H2,1,3-5H3/t15-,16-,17-/m1/s1
InChIKeyJNBXHQHNYGCPDT-BRWVUGGUSA-N
XLogP3.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.51
LogP ≤ 53.98
H-Bond Donors ≤ 52
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

(2R)-2-phenyl-2-[[(1R)-1-phenylprop-2-enyl]amino]ethanol
CID 11032401
(1R,2S)-1-phenyl-2-trimethylsilylbut-3-en-1-ol
CID 12705031
(2R)-2-[[(3R)-2,2-dimethylhex-5-en-3-yl]amino]-2-phenylethanol
CID 11172674
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
(2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol
CID 103784133
2-(heptan-4-ylamino)-2-phenylethanol
CID 55160187
(2R)-2-phenyl-2-(1-phenylbutan-2-ylamino)ethanol
CID 103788766
(2R)-2-[[(1R)-1-(4-methylphenyl)but-3-enyl]amino]-2-phenylethanol
CID 11448905
2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2-phenylethanol
CID 67128601
(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol
CID 28723478
(3R,4S)-4-methyl-N-[(1R)-1-phenylethyl]hex-5-en-3-amine
CID 134858185
(2R)-2-(but-3-enylamino)-2-phenylethanol
CID 14716014

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]amino]ethanol?
The IUPAC name of (2S)-2-phenyl-2-[[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]amino]ethanol (CID 102006794) is (2S)-2-phenyl-2-[[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]amino]ethanol.
What is the SMILES notation for (2S)-2-phenyl-2-[[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]amino]ethanol?
The canonical SMILES for (2S)-2-phenyl-2-[[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]amino]ethanol is C=C[C@H]([C@@H](CC)N[C@H](CO)c1ccccc1)[Si](C)(C)C.
What is the InChIKey of (2S)-2-phenyl-2-[[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]amino]ethanol?
The InChIKey is JNBXHQHNYGCPDT-BRWVUGGUSA-N. The full InChI is InChI=1S/C17H29NOSi/c1-6-15(17(7-2)20(3,4)5)18-16(13-19)14-11-9-8-10-12-14/h7-12,15-19H,2,6,13H2,1,3-5H3/t15-,16-,17-/m1/s1.
What are the key properties of (2S)-2-phenyl-2-[[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]amino]ethanol?
(2S)-2-phenyl-2-[[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]amino]ethanol has a molecular weight of 291.51 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]amino]ethanol is sourced from PubChem (CID 102006794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).