2-amino-2-[2-[4-[3-[benzyl(dimethyl)silyl]propoxy]phenyl]ethyl]propane-1,3-diol;hydrochloride

C23H36ClNO3Si — CID 139768331

IUPAC2-amino-2-[2-[4-[3-[benzyl(dimethyl)silyl]propoxy]phenyl]ethyl]propane-1,3-diol;hydrochloride
SMILESC[Si](C)(CCCOc1ccc(CCC(N)(CO)CO)cc1)Cc1ccccc1.Cl
InChIInChI=1S/C23H35NO3Si.ClH/c1-28(2,17-21-7-4-3-5-8-21)16-6-15-27-22-11-9-20(10-12-22)13-14-23(24,18-25)19-26;/h3-5,7-12,25-26H,6,13-19,24H2,1-2H3;1H
InChIKeyDDKYTQHLESZVGF-UHFFFAOYSA-N
MW438.08 g/mol
LogP3.98
Rot. Bonds12

About 2-amino-2-[2-[4-[3-[benzyl(dimethyl)silyl]propoxy]phenyl]ethyl]propane-1,3-diol;hydrochloride

2-amino-2-[2-[4-[3-[benzyl(dimethyl)silyl]propoxy]phenyl]ethyl]propane-1,3-diol;hydrochloride (PubChem CID 139768331) has the molecular formula C23H36ClNO3Si and a molecular weight of 438.08 g/mol. Its IUPAC name is 2-amino-2-[2-[4-[3-[benzyl(dimethyl)silyl]propoxy]phenyl]ethyl]propane-1,3-diol;hydrochloride.

Molecular Properties

Compound Name2-amino-2-[2-[4-[3-[benzyl(dimethyl)silyl]propoxy]phenyl]ethyl]propane-1,3-diol;hydrochloride
PubChem CID139768331
Molecular FormulaC23H36ClNO3Si
Molecular Weight438.08 g/mol
Exact Mass437.22
IUPAC Name2-amino-2-[2-[4-[3-[benzyl(dimethyl)silyl]propoxy]phenyl]ethyl]propane-1,3-diol;hydrochloride
SMILESC[Si](C)(CCCOc1ccc(CCC(N)(CO)CO)cc1)Cc1ccccc1.Cl
InChIInChI=1S/C23H35NO3Si.ClH/c1-28(2,17-21-7-4-3-5-8-21)16-6-15-27-22-11-9-20(10-12-22)13-14-23(24,18-25)19-26;/h3-5,7-12,25-26H,6,13-19,24H2,1-2H3;1H
InChIKeyDDKYTQHLESZVGF-UHFFFAOYSA-N
XLogP3.98
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.08
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-[2-[4-[4-[benzyl(dimethyl)silyl]butoxy]phenyl]ethyl]propane-1,3-diol
CID 139768141
2-amino-2-[2-[4-[3-[(3-methoxyphenyl)-dimethylsilyl]propoxy]phenyl]ethyl]propane-1,3-diol;hydrochloride
CID 139768133
2-amino-2-[2-(4-hexoxyphenyl)ethyl]propane-1,3-diol
CID 11483309
2-amino-2-[2-(4-tridecoxyphenyl)ethyl]propane-1,3-diol
CID 11223128
2-amino-2-[2-[4-[3-(1-phenylsilolan-1-yl)propoxy]phenyl]ethyl]propane-1,3-diol
CID 139768131
2-amino-2-[2-[4-(4-butoxy-2-methylphenyl)phenyl]ethyl]propane-1,3-diol;hydrochloride
CID 46205130
diethyl 2-amino-2-[2-[4-[3-[methyl(diphenyl)silyl]propoxy]phenyl]ethyl]propanedioate
CID 139768392
2-amino-5-(4-butylphenoxy)-2-ethylpentan-1-ol
CID 106810666
[2-(acetyloxymethyl)-2-amino-4-(4-heptoxyphenyl)butyl] acetate
CID 10810592
2-amino-2-[2-(6-pentoxynaphthalen-2-yl)ethyl]propane-1,3-diol
CID 58709703
(2S)-2-amino-2-[2-[4-(6-methylheptoxy)phenyl]ethyl]pentan-1-ol
CID 53234284
2-amino-2-[2-[4-(6-methylheptoxy)phenyl]ethyl]pentan-1-ol
CID 67606292

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[4-[3-[benzyl(dimethyl)silyl]propoxy]phenyl]ethyl]propane-1,3-diol;hydrochloride?
The IUPAC name of 2-amino-2-[2-[4-[3-[benzyl(dimethyl)silyl]propoxy]phenyl]ethyl]propane-1,3-diol;hydrochloride (CID 139768331) is 2-amino-2-[2-[4-[3-[benzyl(dimethyl)silyl]propoxy]phenyl]ethyl]propane-1,3-diol;hydrochloride.
What is the SMILES notation for 2-amino-2-[2-[4-[3-[benzyl(dimethyl)silyl]propoxy]phenyl]ethyl]propane-1,3-diol;hydrochloride?
The canonical SMILES for 2-amino-2-[2-[4-[3-[benzyl(dimethyl)silyl]propoxy]phenyl]ethyl]propane-1,3-diol;hydrochloride is C[Si](C)(CCCOc1ccc(CCC(N)(CO)CO)cc1)Cc1ccccc1.Cl.
What is the InChIKey of 2-amino-2-[2-[4-[3-[benzyl(dimethyl)silyl]propoxy]phenyl]ethyl]propane-1,3-diol;hydrochloride?
The InChIKey is DDKYTQHLESZVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO3Si.ClH/c1-28(2,17-21-7-4-3-5-8-21)16-6-15-27-22-11-9-20(10-12-22)13-14-23(24,18-25)19-26;/h3-5,7-12,25-26H,6,13-19,24H2,1-2H3;1H.
What are the key properties of 2-amino-2-[2-[4-[3-[benzyl(dimethyl)silyl]propoxy]phenyl]ethyl]propane-1,3-diol;hydrochloride?
2-amino-2-[2-[4-[3-[benzyl(dimethyl)silyl]propoxy]phenyl]ethyl]propane-1,3-diol;hydrochloride has a molecular weight of 438.08 g/mol, XLogP of 3.98, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-[4-[3-[benzyl(dimethyl)silyl]propoxy]phenyl]ethyl]propane-1,3-diol;hydrochloride is sourced from PubChem (CID 139768331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).