2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-N-[(4-methoxyphenyl)methyl]ethanamine

C19H33NO2Si — CID 174144243

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNCC(O[Si](C)(C)C(C)(C)C)C2CC2)cc1
InChIInChI=1S/C19H33NO2Si/c1-19(2,3)23(5,6)22-18(16-9-10-16)14-20-13-15-7-11-17(21-4)12-8-15/h7-8,11-12,16,18,20H,9-10,13-14H2,1-6H3
InChIKeyYYDHQVWJXQUJTC-UHFFFAOYSA-N
MW335.56 g/mol
LogP4.59
Rot. Bonds8

About 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-N-[(4-methoxyphenyl)methyl]ethanamine

2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-N-[(4-methoxyphenyl)methyl]ethanamine (PubChem CID 174144243) has the molecular formula C19H33NO2Si and a molecular weight of 335.56 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-N-[(4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-N-[(4-methoxyphenyl)methyl]ethanamine
PubChem CID174144243
Molecular FormulaC19H33NO2Si
Molecular Weight335.56 g/mol
Exact Mass335.23
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNCC(O[Si](C)(C)C(C)(C)C)C2CC2)cc1
InChIInChI=1S/C19H33NO2Si/c1-19(2,3)23(5,6)22-18(16-9-10-16)14-20-13-15-7-11-17(21-4)12-8-15/h7-8,11-12,16,18,20H,9-10,13-14H2,1-6H3
InChIKeyYYDHQVWJXQUJTC-UHFFFAOYSA-N
XLogP4.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.56
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-N-[(4-methoxyphenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-[(1R)-2-[(4-methoxyphenyl)methoxy]-1-[(2R)-oxiran-2-yl]ethoxy]-dimethylsilane
CID 11393604
tert-butyl N-[1-cyclopropyl-2-[(4-methoxyphenyl)methylamino]ethyl]carbamate
CID 103872184
2-cyclopropyl-N-[(6-methoxynaphthalen-2-yl)methyl]propan-1-amine
CID 115592755
methyl (3S)-2-acetyl-3-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methylamino]-4-methylpentanoate
CID 91400934
2-tert-butyl-N-[(4-methoxyphenyl)methyl]pent-4-en-1-amine
CID 10730152
N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 43201033
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
tert-butyl (2S)-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate
CID 94133636
tert-butyl (2R)-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate
CID 94133637
N'-tert-butyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 54807228
N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62702803
1-[(4-methoxyphenyl)methylamino]butan-2-ol
CID 23060649

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-N-[(4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-N-[(4-methoxyphenyl)methyl]ethanamine (CID 174144243) is 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-N-[(4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-N-[(4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-N-[(4-methoxyphenyl)methyl]ethanamine is COc1ccc(CNCC(O[Si](C)(C)C(C)(C)C)C2CC2)cc1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-N-[(4-methoxyphenyl)methyl]ethanamine?
The InChIKey is YYDHQVWJXQUJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2Si/c1-19(2,3)23(5,6)22-18(16-9-10-16)14-20-13-15-7-11-17(21-4)12-8-15/h7-8,11-12,16,18,20H,9-10,13-14H2,1-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-N-[(4-methoxyphenyl)methyl]ethanamine?
2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-N-[(4-methoxyphenyl)methyl]ethanamine has a molecular weight of 335.56 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropyl-N-[(4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 174144243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).