3-[tert-butyl(diphenyl)silyl]oxy-N-[1-[6-(cyclopropylmethoxy)-1H-indol-3-yl]propan-2-yl]-2,2-difluoropropan-1-amine

C34H42F2N2O2Si — CID 174234185

IUPAC3-[tert-butyl(diphenyl)silyl]oxy-N-[1-[6-(cyclopropylmethoxy)-1H-indol-3-yl]propan-2-yl]-2,2-difluoropropan-1-amine
SMILESCC(Cc1c[nH]c2cc(OCC3CC3)ccc12)NCC(F)(F)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C34H42F2N2O2Si/c1-25(19-27-21-37-32-20-28(17-18-31(27)32)39-22-26-15-16-26)38-23-34(35,36)24-40-41(33(2,3)4,29-11-7-5-8-12-29)30-13-9-6-10-14-30/h5-14,17-18,20-21,25-26,37-38H,15-16,19,22-24H2,1-4H3
InChIKeyJGTCUYGARDMCGB-UHFFFAOYSA-N
MW576.80 g/mol
LogP6.69
Rot. Bonds13

About 3-[tert-butyl(diphenyl)silyl]oxy-N-[1-[6-(cyclopropylmethoxy)-1H-indol-3-yl]propan-2-yl]-2,2-difluoropropan-1-amine

3-[tert-butyl(diphenyl)silyl]oxy-N-[1-[6-(cyclopropylmethoxy)-1H-indol-3-yl]propan-2-yl]-2,2-difluoropropan-1-amine (PubChem CID 174234185) has the molecular formula C34H42F2N2O2Si and a molecular weight of 576.80 g/mol. Its IUPAC name is 3-[tert-butyl(diphenyl)silyl]oxy-N-[1-[6-(cyclopropylmethoxy)-1H-indol-3-yl]propan-2-yl]-2,2-difluoropropan-1-amine.

Molecular Properties

Compound Name3-[tert-butyl(diphenyl)silyl]oxy-N-[1-[6-(cyclopropylmethoxy)-1H-indol-3-yl]propan-2-yl]-2,2-difluoropropan-1-amine
PubChem CID174234185
Molecular FormulaC34H42F2N2O2Si
Molecular Weight576.80 g/mol
Exact Mass576.30
IUPAC Name3-[tert-butyl(diphenyl)silyl]oxy-N-[1-[6-(cyclopropylmethoxy)-1H-indol-3-yl]propan-2-yl]-2,2-difluoropropan-1-amine
SMILESCC(Cc1c[nH]c2cc(OCC3CC3)ccc12)NCC(F)(F)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C34H42F2N2O2Si/c1-25(19-27-21-37-32-20-28(17-18-31(27)32)39-22-26-15-16-26)38-23-34(35,36)24-40-41(33(2,3)4,29-11-7-5-8-12-29)30-13-9-6-10-14-30/h5-14,17-18,20-21,25-26,37-38H,15-16,19,22-24H2,1-4H3
InChIKeyJGTCUYGARDMCGB-UHFFFAOYSA-N
XLogP6.69
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.80
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[1-(6-methoxy-1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine
CID 130300765
3-[(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]phenol
CID 156894869
2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]butan-1-amine
CID 162616789
tert-butyl-[2,2-difluoro-3-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]propoxy]-diphenylsilanuide
CID 162617200
2,2-difluoro-3-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]propan-1-ol
CID 121410502
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methyl-N-propan-2-ylpropan-1-amine
CID 172785843
tert-butyl-[(4-ethenylcyclohexyl)methoxy]-diphenylsilane
CID 156858499
[3-(5-bromo-6-fluoro-1H-indol-3-yl)-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane
CID 170712658
3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropan-1-ol
CID 125483258
2-(cyclopropylmethoxy)-9H-carbazole
CID 143672103
3-(6-phenylmethoxy-1H-indol-3-yl)-2-(2-trimethylsilylethoxycarbonylamino)propanoic acid
CID 175217287
[1-[tert-butyl(diphenyl)silyl]oxypropan-2-ylamino]methanol
CID 21062594

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-N-[1-[6-(cyclopropylmethoxy)-1H-indol-3-yl]propan-2-yl]-2,2-difluoropropan-1-amine?
The IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-N-[1-[6-(cyclopropylmethoxy)-1H-indol-3-yl]propan-2-yl]-2,2-difluoropropan-1-amine (CID 174234185) is 3-[tert-butyl(diphenyl)silyl]oxy-N-[1-[6-(cyclopropylmethoxy)-1H-indol-3-yl]propan-2-yl]-2,2-difluoropropan-1-amine.
What is the SMILES notation for 3-[tert-butyl(diphenyl)silyl]oxy-N-[1-[6-(cyclopropylmethoxy)-1H-indol-3-yl]propan-2-yl]-2,2-difluoropropan-1-amine?
The canonical SMILES for 3-[tert-butyl(diphenyl)silyl]oxy-N-[1-[6-(cyclopropylmethoxy)-1H-indol-3-yl]propan-2-yl]-2,2-difluoropropan-1-amine is CC(Cc1c[nH]c2cc(OCC3CC3)ccc12)NCC(F)(F)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(diphenyl)silyl]oxy-N-[1-[6-(cyclopropylmethoxy)-1H-indol-3-yl]propan-2-yl]-2,2-difluoropropan-1-amine?
The InChIKey is JGTCUYGARDMCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42F2N2O2Si/c1-25(19-27-21-37-32-20-28(17-18-31(27)32)39-22-26-15-16-26)38-23-34(35,36)24-40-41(33(2,3)4,29-11-7-5-8-12-29)30-13-9-6-10-14-30/h5-14,17-18,20-21,25-26,37-38H,15-16,19,22-24H2,1-4H3.
What are the key properties of 3-[tert-butyl(diphenyl)silyl]oxy-N-[1-[6-(cyclopropylmethoxy)-1H-indol-3-yl]propan-2-yl]-2,2-difluoropropan-1-amine?
3-[tert-butyl(diphenyl)silyl]oxy-N-[1-[6-(cyclopropylmethoxy)-1H-indol-3-yl]propan-2-yl]-2,2-difluoropropan-1-amine has a molecular weight of 576.80 g/mol, XLogP of 6.69, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(diphenyl)silyl]oxy-N-[1-[6-(cyclopropylmethoxy)-1H-indol-3-yl]propan-2-yl]-2,2-difluoropropan-1-amine is sourced from PubChem (CID 174234185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).