(E,1R)-N-[(1R)-2-methoxy-1-phenylethyl]-1-phenyl-4-trimethylsilylbut-3-en-1-amine

C22H31NOSi — CID 23642490

IUPAC(E,1R)-N-[(1R)-2-methoxy-1-phenylethyl]-1-phenyl-4-trimethylsilylbut-3-en-1-amine
SMILESCOC[C@H](N[C@H](C/C=C/[Si](C)(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31NOSi/c1-24-18-22(20-14-9-6-10-15-20)23-21(16-11-17-25(2,3)4)19-12-7-5-8-13-19/h5-15,17,21-23H,16,18H2,1-4H3/b17-11+/t21-,22+/m1/s1
InChIKeyRBTKDCQZFSUXGF-MCBZGUROSA-N
MW353.58 g/mol
LogP5.53
Rot. Bonds9

About (E,1R)-N-[(1R)-2-methoxy-1-phenylethyl]-1-phenyl-4-trimethylsilylbut-3-en-1-amine

(E,1R)-N-[(1R)-2-methoxy-1-phenylethyl]-1-phenyl-4-trimethylsilylbut-3-en-1-amine (PubChem CID 23642490) has the molecular formula C22H31NOSi and a molecular weight of 353.58 g/mol. Its IUPAC name is (E,1R)-N-[(1R)-2-methoxy-1-phenylethyl]-1-phenyl-4-trimethylsilylbut-3-en-1-amine.

Molecular Properties

Compound Name(E,1R)-N-[(1R)-2-methoxy-1-phenylethyl]-1-phenyl-4-trimethylsilylbut-3-en-1-amine
PubChem CID23642490
Molecular FormulaC22H31NOSi
Molecular Weight353.58 g/mol
Exact Mass353.22
IUPAC Name(E,1R)-N-[(1R)-2-methoxy-1-phenylethyl]-1-phenyl-4-trimethylsilylbut-3-en-1-amine
SMILESCOC[C@H](N[C@H](C/C=C/[Si](C)(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31NOSi/c1-24-18-22(20-14-9-6-10-15-20)23-21(16-11-17-25(2,3)4)19-12-7-5-8-13-19/h5-15,17,21-23H,16,18H2,1-4H3/b17-11+/t21-,22+/m1/s1
InChIKeyRBTKDCQZFSUXGF-MCBZGUROSA-N
XLogP5.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.58
LogP ≤ 55.53
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

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CID 10900780
2-(Benzylamino)-2-phenylethan-1-ol
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CID 209452
3-(4-Fluorophenyl)morpholine
CID 3831072
(R)-(-)-N-Benzyl-2-phenylglycinol
CID 10656907
3-Phenylmorpholine
CID 3613837
3-Phenylmorpholine--hydrogen chloride (1/1)
CID 17749820
[1-(4-Fluorophenyl)-2-methoxyethyl](methyl)amine
CID 61553432
2,2-Dimethyl-5-phenylmorpholine hydrochloride
CID 69283449
(3S,4S)-4-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine
CID 46956014
(S)-2-benzylamino-3-phenyl-1-propanol
CID 10514267
(r)-2-[(t-Butyldimethylsilyl) oxy]-1-phenyl-ethan-1-amine
CID 11791653

Frequently Asked Questions

What is the IUPAC name of (E,1R)-N-[(1R)-2-methoxy-1-phenylethyl]-1-phenyl-4-trimethylsilylbut-3-en-1-amine?
The IUPAC name of (E,1R)-N-[(1R)-2-methoxy-1-phenylethyl]-1-phenyl-4-trimethylsilylbut-3-en-1-amine (CID 23642490) is (E,1R)-N-[(1R)-2-methoxy-1-phenylethyl]-1-phenyl-4-trimethylsilylbut-3-en-1-amine.
What is the SMILES notation for (E,1R)-N-[(1R)-2-methoxy-1-phenylethyl]-1-phenyl-4-trimethylsilylbut-3-en-1-amine?
The canonical SMILES for (E,1R)-N-[(1R)-2-methoxy-1-phenylethyl]-1-phenyl-4-trimethylsilylbut-3-en-1-amine is COC[C@H](N[C@H](C/C=C/[Si](C)(C)C)c1ccccc1)c1ccccc1.
What is the InChIKey of (E,1R)-N-[(1R)-2-methoxy-1-phenylethyl]-1-phenyl-4-trimethylsilylbut-3-en-1-amine?
The InChIKey is RBTKDCQZFSUXGF-MCBZGUROSA-N. The full InChI is InChI=1S/C22H31NOSi/c1-24-18-22(20-14-9-6-10-15-20)23-21(16-11-17-25(2,3)4)19-12-7-5-8-13-19/h5-15,17,21-23H,16,18H2,1-4H3/b17-11+/t21-,22+/m1/s1.
What are the key properties of (E,1R)-N-[(1R)-2-methoxy-1-phenylethyl]-1-phenyl-4-trimethylsilylbut-3-en-1-amine?
(E,1R)-N-[(1R)-2-methoxy-1-phenylethyl]-1-phenyl-4-trimethylsilylbut-3-en-1-amine has a molecular weight of 353.58 g/mol, XLogP of 5.53, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R)-N-[(1R)-2-methoxy-1-phenylethyl]-1-phenyl-4-trimethylsilylbut-3-en-1-amine is sourced from PubChem (CID 23642490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).