N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine

C23H31NO2Si — CID 11440428

IUPACN-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine
SMILESCOc1ccc2c(c1)CCC/C2=N\c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C23H31NO2Si/c1-23(2,3)27(5,6)26-19-12-10-18(11-13-19)24-22-9-7-8-17-16-20(25-4)14-15-21(17)22/h10-16H,7-9H2,1-6H3/b24-22+
InChIKeyXFKWCJIOKGVVJX-ZNTNEXAZSA-N
MW381.59 g/mol
LogP6.54
Rot. Bonds4

About N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine

N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine (PubChem CID 11440428) has the molecular formula C23H31NO2Si and a molecular weight of 381.59 g/mol. Its IUPAC name is N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine.

Molecular Properties

Compound NameN-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine
PubChem CID11440428
Molecular FormulaC23H31NO2Si
Molecular Weight381.59 g/mol
Exact Mass381.21
IUPAC NameN-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine
SMILESCOc1ccc2c(c1)CCC/C2=N\c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C23H31NO2Si/c1-23(2,3)27(5,6)26-19-12-10-18(11-13-19)24-22-9-7-8-17-16-20(25-4)14-15-21(17)22/h10-16H,7-9H2,1-6H3/b24-22+
InChIKeyXFKWCJIOKGVVJX-ZNTNEXAZSA-N
XLogP6.54
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.59
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-6-methyl-3,4-dihydro-2H-naphthalen-1-imine
CID 162286968
1-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-propan-2-ylthiourea
CID 8978994
N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylaniline
CID 6076381
[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea
CID 2807504
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
5-tert-butyl-13-methoxy-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene
CID 59295630
methyl 2-[[8-(4-methoxyphenyl)imino-6,7-dihydro-5H-naphthalen-2-yl]oxy]acetate
CID 148980202
4-bromo-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide
CID 9121006
6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 10334429
tert-butyl-[4-[(4-methoxyphenyl)methyl]phenoxy]-dimethylsilane
CID 23553287
13-methoxy-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-amine
CID 59738031
10-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-7-methoxy-3a,3b,4,5,11,11a-hexahydronaphtho[2,1-e]isoindole-1,3-dione
CID 11711892

Frequently Asked Questions

What is the IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine?
The IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine (CID 11440428) is N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine.
What is the SMILES notation for N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine?
The canonical SMILES for N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine is COc1ccc2c(c1)CCC/C2=N\c1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine?
The InChIKey is XFKWCJIOKGVVJX-ZNTNEXAZSA-N. The full InChI is InChI=1S/C23H31NO2Si/c1-23(2,3)27(5,6)26-19-12-10-18(11-13-19)24-22-9-7-8-17-16-20(25-4)14-15-21(17)22/h10-16H,7-9H2,1-6H3/b24-22+.
What are the key properties of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine?
N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine has a molecular weight of 381.59 g/mol, XLogP of 6.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine is sourced from PubChem (CID 11440428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).