2-[tert-butyl(diphenyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-amine

C26H31NOSi — CID 66696715

IUPAC2-[tert-butyl(diphenyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCC(C)(C)[Si](Oc1ccc2c(c1N)CCCC2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H31NOSi/c1-26(2,3)29(21-13-6-4-7-14-21,22-15-8-5-9-16-22)28-24-19-18-20-12-10-11-17-23(20)25(24)27/h4-9,13-16,18-19H,10-12,17,27H2,1-3H3
InChIKeyWOBORWIICLOKAA-UHFFFAOYSA-N
MW401.63 g/mol
LogP5.09
Rot. Bonds4

About 2-[tert-butyl(diphenyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-amine

2-[tert-butyl(diphenyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 66696715) has the molecular formula C26H31NOSi and a molecular weight of 401.63 g/mol. Its IUPAC name is 2-[tert-butyl(diphenyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-[tert-butyl(diphenyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID66696715
Molecular FormulaC26H31NOSi
Molecular Weight401.63 g/mol
Exact Mass401.22
IUPAC Name2-[tert-butyl(diphenyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCC(C)(C)[Si](Oc1ccc2c(c1N)CCCC2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H31NOSi/c1-26(2,3)29(21-13-6-4-7-14-21,22-15-8-5-9-16-22)28-24-19-18-20-12-10-11-17-23(20)25(24)27/h4-9,13-16,18-19H,10-12,17,27H2,1-3H3
InChIKeyWOBORWIICLOKAA-UHFFFAOYSA-N
XLogP5.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.63
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[2-(cyclopropylidenemethyl)phenoxy]-diphenylsilane
CID 101450805
(5-azido-5,6,7,8-tetrahydronaphthalen-1-yl)oxy-tert-butyl-diphenylsilane
CID 18367327
[4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium
CID 140590234
(3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane
CID 101484237
(2E)-2-[6-[tert-butyl(diphenyl)silyl]oxy-7-prop-2-enyl-2,3-dihydroinden-1-ylidene]acetonitrile
CID 50993085
2,4-bis[[tert-butyl(diphenyl)silyl]oxy]benzaldehyde
CID 44598255
tert-butyl-(2-nitrophenoxy)-diphenylsilane
CID 91423635
4-[tert-butyl(diphenyl)silyl]oxy-3-methoxybenzaldehyde
CID 11395179
tert-butyl-(3,6-dihydro-2H-pyran-4-yloxy)-diphenylsilane
CID 101467335
tert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane
CID 135016093
3-[6-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydroinden-1-yl]prop-2-enal
CID 173311465
5-(2-phenyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine
CID 146388613

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-amine (CID 66696715) is 2-[tert-butyl(diphenyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-[tert-butyl(diphenyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-[tert-butyl(diphenyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-amine is CC(C)(C)[Si](Oc1ccc2c(c1N)CCCC2)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[tert-butyl(diphenyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is WOBORWIICLOKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NOSi/c1-26(2,3)29(21-13-6-4-7-14-21,22-15-8-5-9-16-22)28-24-19-18-20-12-10-11-17-23(20)25(24)27/h4-9,13-16,18-19H,10-12,17,27H2,1-3H3.
What are the key properties of 2-[tert-butyl(diphenyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-amine?
2-[tert-butyl(diphenyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 401.63 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(diphenyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 66696715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).