N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine

C22H32N2OSi — CID 140666668

IUPACN-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
SMILESCN1CCCc2cc(Nc3ccc(O[Si](C)(C)C(C)(C)C)cc3)ccc21
InChIInChI=1S/C22H32N2OSi/c1-22(2,3)26(5,6)25-20-12-9-18(10-13-20)23-19-11-14-21-17(16-19)8-7-15-24(21)4/h9-14,16,23H,7-8,15H2,1-6H3
InChIKeyRXNYZWXSDJTWOX-UHFFFAOYSA-N
MW368.60 g/mol
LogP6.20
Rot. Bonds4

About N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine

N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine (PubChem CID 140666668) has the molecular formula C22H32N2OSi and a molecular weight of 368.60 g/mol. Its IUPAC name is N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine.

Molecular Properties

Compound NameN-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
PubChem CID140666668
Molecular FormulaC22H32N2OSi
Molecular Weight368.60 g/mol
Exact Mass368.23
IUPAC NameN-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
SMILESCN1CCCc2cc(Nc3ccc(O[Si](C)(C)C(C)(C)C)cc3)ccc21
InChIInChI=1S/C22H32N2OSi/c1-22(2,3)26(5,6)25-20-12-9-18(10-13-20)23-19-11-14-21-17(16-19)8-7-15-24(21)4/h9-14,16,23H,7-8,15H2,1-6H3
InChIKeyRXNYZWXSDJTWOX-UHFFFAOYSA-N
XLogP6.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.60
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydro-2H-quinolin-6-amine
CID 110452960
N-(4-fluorophenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82537194
N-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82537025
N-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 110452277
N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(2-morpholin-4-ylethyl)indol-5-amine
CID 140719406
N-[1-(4-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82538735
4-methoxy-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 110729178
1-methyl-N-naphthalen-2-yl-2,3-dihydroindol-5-amine
CID 82536270
N-(3-methoxyphenyl)-1-methyl-2,3-dihydroindol-5-amine
CID 82537037
N',N'-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethane-1,2-diamine
CID 82539703
tert-butyl-dimethyl-[(3-methyl-2H-1,3-benzoxazol-6-yl)oxy]silane
CID 141266666
N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-methylsulfanyl-3-(trifluoromethyl)aniline
CID 140666711

Frequently Asked Questions

What is the IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine?
The IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine (CID 140666668) is N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine.
What is the SMILES notation for N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine?
The canonical SMILES for N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine is CN1CCCc2cc(Nc3ccc(O[Si](C)(C)C(C)(C)C)cc3)ccc21.
What is the InChIKey of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine?
The InChIKey is RXNYZWXSDJTWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2OSi/c1-22(2,3)26(5,6)25-20-12-9-18(10-13-20)23-19-11-14-21-17(16-19)8-7-15-24(21)4/h9-14,16,23H,7-8,15H2,1-6H3.
What are the key properties of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine?
N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine has a molecular weight of 368.60 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine is sourced from PubChem (CID 140666668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).