(2S)-2-amino-1-[tert-butyl(dimethyl)silyl]-3-(4-phenylphenyl)propan-1-ol

C21H31NOSi — CID 54289472

IUPAC(2S)-2-amino-1-[tert-butyl(dimethyl)silyl]-3-(4-phenylphenyl)propan-1-ol
SMILESCC(C)(C)[Si](C)(C)C(O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H31NOSi/c1-21(2,3)24(4,5)20(23)19(22)15-16-11-13-18(14-12-16)17-9-7-6-8-10-17/h6-14,19-20,23H,15,22H2,1-5H3/t19-,20?/m0/s1
InChIKeyRWMHBMMMIKNGHY-XJDOXCRVSA-N
MW341.57 g/mol
LogP4.63
Rot. Bonds5

About (2S)-2-amino-1-[tert-butyl(dimethyl)silyl]-3-(4-phenylphenyl)propan-1-ol

(2S)-2-amino-1-[tert-butyl(dimethyl)silyl]-3-(4-phenylphenyl)propan-1-ol (PubChem CID 54289472) has the molecular formula C21H31NOSi and a molecular weight of 341.57 g/mol. Its IUPAC name is (2S)-2-amino-1-[tert-butyl(dimethyl)silyl]-3-(4-phenylphenyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-1-[tert-butyl(dimethyl)silyl]-3-(4-phenylphenyl)propan-1-ol
PubChem CID54289472
Molecular FormulaC21H31NOSi
Molecular Weight341.57 g/mol
Exact Mass341.22
IUPAC Name(2S)-2-amino-1-[tert-butyl(dimethyl)silyl]-3-(4-phenylphenyl)propan-1-ol
SMILESCC(C)(C)[Si](C)(C)C(O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H31NOSi/c1-21(2,3)24(4,5)20(23)19(22)15-16-11-13-18(14-12-16)17-9-7-6-8-10-17/h6-14,19-20,23H,15,22H2,1-5H3/t19-,20?/m0/s1
InChIKeyRWMHBMMMIKNGHY-XJDOXCRVSA-N
XLogP4.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.57
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[tert-butyl(dimethyl)silyl]-3-(4-phenylphenyl)propan-1-ol?
The IUPAC name of (2S)-2-amino-1-[tert-butyl(dimethyl)silyl]-3-(4-phenylphenyl)propan-1-ol (CID 54289472) is (2S)-2-amino-1-[tert-butyl(dimethyl)silyl]-3-(4-phenylphenyl)propan-1-ol.
What is the SMILES notation for (2S)-2-amino-1-[tert-butyl(dimethyl)silyl]-3-(4-phenylphenyl)propan-1-ol?
The canonical SMILES for (2S)-2-amino-1-[tert-butyl(dimethyl)silyl]-3-(4-phenylphenyl)propan-1-ol is CC(C)(C)[Si](C)(C)C(O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S)-2-amino-1-[tert-butyl(dimethyl)silyl]-3-(4-phenylphenyl)propan-1-ol?
The InChIKey is RWMHBMMMIKNGHY-XJDOXCRVSA-N. The full InChI is InChI=1S/C21H31NOSi/c1-21(2,3)24(4,5)20(23)19(22)15-16-11-13-18(14-12-16)17-9-7-6-8-10-17/h6-14,19-20,23H,15,22H2,1-5H3/t19-,20?/m0/s1.
What are the key properties of (2S)-2-amino-1-[tert-butyl(dimethyl)silyl]-3-(4-phenylphenyl)propan-1-ol?
(2S)-2-amino-1-[tert-butyl(dimethyl)silyl]-3-(4-phenylphenyl)propan-1-ol has a molecular weight of 341.57 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[tert-butyl(dimethyl)silyl]-3-(4-phenylphenyl)propan-1-ol is sourced from PubChem (CID 54289472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).