2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(2-methoxyphenyl)butan-1-ol

C24H37NO4Si — CID 139745305

IUPAC2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(2-methoxyphenyl)butan-1-ol
SMILESCOc1ccccc1C(O)(c1ccccc1OC)C(N)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H37NO4Si/c1-17(29-30(7,8)23(2,3)4)22(25)24(26,18-13-9-11-15-20(18)27-5)19-14-10-12-16-21(19)28-6/h9-17,22,26H,25H2,1-8H3
InChIKeyODRZATJUKXHXMC-UHFFFAOYSA-N
MW431.65 g/mol
LogP4.68
Rot. Bonds8

About 2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(2-methoxyphenyl)butan-1-ol

2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(2-methoxyphenyl)butan-1-ol (PubChem CID 139745305) has the molecular formula C24H37NO4Si and a molecular weight of 431.65 g/mol. Its IUPAC name is 2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(2-methoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(2-methoxyphenyl)butan-1-ol
PubChem CID139745305
Molecular FormulaC24H37NO4Si
Molecular Weight431.65 g/mol
Exact Mass431.25
IUPAC Name2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(2-methoxyphenyl)butan-1-ol
SMILESCOc1ccccc1C(O)(c1ccccc1OC)C(N)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H37NO4Si/c1-17(29-30(7,8)23(2,3)4)22(25)24(26,18-13-9-11-15-20(18)27-5)19-14-10-12-16-21(19)28-6/h9-17,22,26H,25H2,1-8H3
InChIKeyODRZATJUKXHXMC-UHFFFAOYSA-N
XLogP4.68
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.65
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(2-methoxyphenyl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol
CID 7707238
3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol
CID 606344
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentan-3-amine
CID 15632284
2-[2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-6-hydroxyphenyl]benzene-1,3-diol
CID 11795537
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
(3R)-3-hydroxy-3-(2-methoxyphenyl)butan-2-one
CID 102236965
3-hydroxy-3-(2-methoxyphenyl)-2-methylbutanenitrile
CID 79130467
(2R)-2-amino-1,1-bis(2-methoxyphenyl)-2-naphthalen-2-ylethanol
CID 66807925
3-[tert-butyl(dimethyl)silyl]oxybutan-2-amine
CID 19432382
2,3-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]cyclopropane-1,1-dicarboxamide
CID 141117149
(2S)-2-(2-methoxyphenyl)butan-2-ol
CID 93303591
1-(2,6-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 116809641

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(2-methoxyphenyl)butan-1-ol?
The IUPAC name of 2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(2-methoxyphenyl)butan-1-ol (CID 139745305) is 2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(2-methoxyphenyl)butan-1-ol.
What is the SMILES notation for 2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(2-methoxyphenyl)butan-1-ol?
The canonical SMILES for 2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(2-methoxyphenyl)butan-1-ol is COc1ccccc1C(O)(c1ccccc1OC)C(N)C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(2-methoxyphenyl)butan-1-ol?
The InChIKey is ODRZATJUKXHXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO4Si/c1-17(29-30(7,8)23(2,3)4)22(25)24(26,18-13-9-11-15-20(18)27-5)19-14-10-12-16-21(19)28-6/h9-17,22,26H,25H2,1-8H3.
What are the key properties of 2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(2-methoxyphenyl)butan-1-ol?
2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(2-methoxyphenyl)butan-1-ol has a molecular weight of 431.65 g/mol, XLogP of 4.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(2-methoxyphenyl)butan-1-ol is sourced from PubChem (CID 139745305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).