(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenyl-N-(2-phenylethyl)propan-2-amine

C24H37NOSi — CID 134850969

IUPAC(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenyl-N-(2-phenylethyl)propan-2-amine
SMILESC[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1)N(C)CCc1ccccc1
InChIInChI=1S/C24H37NOSi/c1-20(25(5)19-18-21-14-10-8-11-15-21)23(22-16-12-9-13-17-22)26-27(6,7)24(2,3)4/h8-17,20,23H,18-19H2,1-7H3/t20-,23-/m1/s1
InChIKeyCAKJUDKIHYEVMM-NFBKMPQASA-N
MW383.65 g/mol
LogP6.31
Rot. Bonds8

About (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenyl-N-(2-phenylethyl)propan-2-amine

(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenyl-N-(2-phenylethyl)propan-2-amine (PubChem CID 134850969) has the molecular formula C24H37NOSi and a molecular weight of 383.65 g/mol. Its IUPAC name is (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenyl-N-(2-phenylethyl)propan-2-amine.

Molecular Properties

Compound Name(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenyl-N-(2-phenylethyl)propan-2-amine
PubChem CID134850969
Molecular FormulaC24H37NOSi
Molecular Weight383.65 g/mol
Exact Mass383.26
IUPAC Name(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenyl-N-(2-phenylethyl)propan-2-amine
SMILESC[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1)N(C)CCc1ccccc1
InChIInChI=1S/C24H37NOSi/c1-20(25(5)19-18-21-14-10-8-11-15-21)23(22-16-12-9-13-17-22)26-27(6,7)24(2,3)4/h8-17,20,23H,18-19H2,1-7H3/t20-,23-/m1/s1
InChIKeyCAKJUDKIHYEVMM-NFBKMPQASA-N
XLogP6.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.65
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenyl-N-(2-phenylethyl)propan-2-amine 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

Cinnamedrine
CID 5370611
(1R,2S)-(+)-2-(Dibutylamino)-1-phenyl-1-propanol
CID 9903376
(4S,5R)-3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaborolidine
CID 13486073
3,4-Dimethyl-2,5-diphenyl-1,3,2-oxazaborolidine
CID 616862
(4S,5S)-2-Allyl-2-chloro-3,4-dimethyl-5-phenyl-1-oxa-3-aza-2-silacyclopentane
CID 10333223
(4R,5R)-2-Allyl-2-chloro-3,4-dimethyl-5-phenyl-1,3,2-oxazasilolidine
CID 10468210
(1S,2R)-(-)-2-(Dibutylamino)-1-phenyl-1-propanol
CID 11003877
(S)-(t-Butyldimethylsiloxy)-diphenylmethyl)pyrrolidine
CID 12000489
(R)-Diphenylprolinol tert-butyldimethylsilyl ether
CID 71310995
(-)-N-Dodecyl-N-methylephedrinium bromide
CID 11069976
(1R,2S)-1-{[tert-Butyl(dimethyl)silyl]oxy}-N-methyl-1-phenylpropan-2-amine
CID 14572256
cis-(1S,2S,6Z)-N,N-diethyl-2-phenylmethoxy-6-tetradecylidenecyclohexan-1-amine
CID 44446337

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenyl-N-(2-phenylethyl)propan-2-amine?
The IUPAC name of (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenyl-N-(2-phenylethyl)propan-2-amine (CID 134850969) is (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenyl-N-(2-phenylethyl)propan-2-amine.
What is the SMILES notation for (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenyl-N-(2-phenylethyl)propan-2-amine?
The canonical SMILES for (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenyl-N-(2-phenylethyl)propan-2-amine is C[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1)N(C)CCc1ccccc1.
What is the InChIKey of (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenyl-N-(2-phenylethyl)propan-2-amine?
The InChIKey is CAKJUDKIHYEVMM-NFBKMPQASA-N. The full InChI is InChI=1S/C24H37NOSi/c1-20(25(5)19-18-21-14-10-8-11-15-21)23(22-16-12-9-13-17-22)26-27(6,7)24(2,3)4/h8-17,20,23H,18-19H2,1-7H3/t20-,23-/m1/s1.
What are the key properties of (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenyl-N-(2-phenylethyl)propan-2-amine?
(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenyl-N-(2-phenylethyl)propan-2-amine has a molecular weight of 383.65 g/mol, XLogP of 6.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenyl-N-(2-phenylethyl)propan-2-amine is sourced from PubChem (CID 134850969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).