N-benzhydryl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine

C27H34N2O2Si — CID 171774386

IUPACN-benzhydryl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine
SMILESCC(C)(C)[Si](C)(C)OCC1COc2c1ccnc2NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H34N2O2Si/c1-27(2,3)32(4,5)31-19-22-18-30-25-23(22)16-17-28-26(25)29-24(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-17,22,24H,18-19H2,1-5H3,(H,28,29)
InChIKeyKEACQIFMPADNMH-UHFFFAOYSA-N
MW446.67 g/mol
LogP6.78
Rot. Bonds7

About N-benzhydryl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine

N-benzhydryl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine (PubChem CID 171774386) has the molecular formula C27H34N2O2Si and a molecular weight of 446.67 g/mol. Its IUPAC name is N-benzhydryl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine.

Molecular Properties

Compound NameN-benzhydryl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine
PubChem CID171774386
Molecular FormulaC27H34N2O2Si
Molecular Weight446.67 g/mol
Exact Mass446.24
IUPAC NameN-benzhydryl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine
SMILESCC(C)(C)[Si](C)(C)OCC1COc2c1ccnc2NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H34N2O2Si/c1-27(2,3)32(4,5)31-19-22-18-30-25-23(22)16-17-28-26(25)29-24(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-17,22,24H,18-19H2,1-5H3,(H,28,29)
InChIKeyKEACQIFMPADNMH-UHFFFAOYSA-N
XLogP6.78
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.67
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-benzhydryl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine with MolForge

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Related Compounds

tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
N-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-chloro-5-pyrimidin-2-ylpyrimidin-4-amine
CID 155649618
2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine
CID 11459395
tert-butyl-[2-[cyclohexylmethoxy(dimethyl)silyl]-2-methyl-1-phenylpropoxy]-dimethylsilane
CID 18922427
[(2R,3S)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 12030475
tert-butyl-dimethyl-[[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]methoxy]silane
CID 11471425
3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-1-phenylprop-2-yn-1-ol
CID 101213440
(S)-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol
CID 101493912
(2R,3R,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenyloxolane-3,4-diol
CID 54754367
tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane
CID 46845307
(3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 154429024
tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane
CID 10789748

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
The IUPAC name of N-benzhydryl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine (CID 171774386) is N-benzhydryl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine.
What is the SMILES notation for N-benzhydryl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
The canonical SMILES for N-benzhydryl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine is CC(C)(C)[Si](C)(C)OCC1COc2c1ccnc2NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
The InChIKey is KEACQIFMPADNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O2Si/c1-27(2,3)32(4,5)31-19-22-18-30-25-23(22)16-17-28-26(25)29-24(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-17,22,24H,18-19H2,1-5H3,(H,28,29).
What are the key properties of N-benzhydryl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
N-benzhydryl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine has a molecular weight of 446.67 g/mol, XLogP of 6.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine is sourced from PubChem (CID 171774386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).