4-phenyl-2-(2-trimethylsilylethoxymethoxy)butane-1,3-diamine

C16H30N2O2Si — CID 22089011

IUPAC4-phenyl-2-(2-trimethylsilylethoxymethoxy)butane-1,3-diamine
SMILESC[Si](C)(C)CCOCOC(CN)C(N)Cc1ccccc1
InChIInChI=1S/C16H30N2O2Si/c1-21(2,3)10-9-19-13-20-16(12-17)15(18)11-14-7-5-4-6-8-14/h4-8,15-16H,9-13,17-18H2,1-3H3
InChIKeyLYPCFDSXAJSDOW-UHFFFAOYSA-N
MW310.51 g/mol
LogP2.21
Rot. Bonds10

About 4-phenyl-2-(2-trimethylsilylethoxymethoxy)butane-1,3-diamine

4-phenyl-2-(2-trimethylsilylethoxymethoxy)butane-1,3-diamine (PubChem CID 22089011) has the molecular formula C16H30N2O2Si and a molecular weight of 310.51 g/mol. Its IUPAC name is 4-phenyl-2-(2-trimethylsilylethoxymethoxy)butane-1,3-diamine.

Molecular Properties

Compound Name4-phenyl-2-(2-trimethylsilylethoxymethoxy)butane-1,3-diamine
PubChem CID22089011
Molecular FormulaC16H30N2O2Si
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC Name4-phenyl-2-(2-trimethylsilylethoxymethoxy)butane-1,3-diamine
SMILESC[Si](C)(C)CCOCOC(CN)C(N)Cc1ccccc1
InChIInChI=1S/C16H30N2O2Si/c1-21(2,3)10-9-19-13-20-16(12-17)15(18)11-14-7-5-4-6-8-14/h4-8,15-16H,9-13,17-18H2,1-3H3
InChIKeyLYPCFDSXAJSDOW-UHFFFAOYSA-N
XLogP2.21
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-Benzyl-2,2-dimethoxyethylamine
CID 66940898
(R)-1-benzyl-2,2-dimethoxyethylamine
CID 44199594
(s)-1-Benzyl-2,2-dimethoxyethylamine
CID 44199596
1-(2-Phenylethyl)-2,2-dimethoxyethylamine
CID 68520793
4-Methyl-2,5-dimethoxy-a-methyl-phenethylamine
CID 74949249
1,1,1-Trimethoxy-3-phenylpropan-2-amine
CID 129630832
2-[Tert-butyl(dimethyl)silyl]oxy-1-phenylhex-5-en-3-amine
CID 72790607
Trimethoxy-amphetamine hydrochloride
CID 129719027
(2R,3S,4S,5R)-1,6-bis(4-fluorophenyl)-3,4-bis(2-trimethylsilylethoxymethoxy)hexane-2,5-diamine
CID 10698770
3-(4-Fluorophenyl)-1,1-dimethoxypropan-2-amine
CID 79492433
3-(3-Fluorophenyl)-1,1-dimethoxypropan-2-amine
CID 79492940
3-(2-Fluorophenyl)-1,1-dimethoxypropan-2-amine
CID 79493645

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(2-trimethylsilylethoxymethoxy)butane-1,3-diamine?
The IUPAC name of 4-phenyl-2-(2-trimethylsilylethoxymethoxy)butane-1,3-diamine (CID 22089011) is 4-phenyl-2-(2-trimethylsilylethoxymethoxy)butane-1,3-diamine.
What is the SMILES notation for 4-phenyl-2-(2-trimethylsilylethoxymethoxy)butane-1,3-diamine?
The canonical SMILES for 4-phenyl-2-(2-trimethylsilylethoxymethoxy)butane-1,3-diamine is C[Si](C)(C)CCOCOC(CN)C(N)Cc1ccccc1.
What is the InChIKey of 4-phenyl-2-(2-trimethylsilylethoxymethoxy)butane-1,3-diamine?
The InChIKey is LYPCFDSXAJSDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2Si/c1-21(2,3)10-9-19-13-20-16(12-17)15(18)11-14-7-5-4-6-8-14/h4-8,15-16H,9-13,17-18H2,1-3H3.
What are the key properties of 4-phenyl-2-(2-trimethylsilylethoxymethoxy)butane-1,3-diamine?
4-phenyl-2-(2-trimethylsilylethoxymethoxy)butane-1,3-diamine has a molecular weight of 310.51 g/mol, XLogP of 2.21, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(2-trimethylsilylethoxymethoxy)butane-1,3-diamine is sourced from PubChem (CID 22089011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).