1-[(2,3-dimethoxyphenyl)-diethylsilyl]propan-1-amine

C15H27NO2Si — CID 175271971

IUPAC1-[(2,3-dimethoxyphenyl)-diethylsilyl]propan-1-amine
SMILESCCC(N)[Si](CC)(CC)c1cccc(OC)c1OC
InChIInChI=1S/C15H27NO2Si/c1-6-14(16)19(7-2,8-3)13-11-9-10-12(17-4)15(13)18-5/h9-11,14H,6-8,16H2,1-5H3
InChIKeyDFDAGGWRWUIOTK-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.68
Rot. Bonds7

About 1-[(2,3-dimethoxyphenyl)-diethylsilyl]propan-1-amine

1-[(2,3-dimethoxyphenyl)-diethylsilyl]propan-1-amine (PubChem CID 175271971) has the molecular formula C15H27NO2Si and a molecular weight of 281.47 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)-diethylsilyl]propan-1-amine.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)-diethylsilyl]propan-1-amine
PubChem CID175271971
Molecular FormulaC15H27NO2Si
Molecular Weight281.47 g/mol
Exact Mass281.18
IUPAC Name1-[(2,3-dimethoxyphenyl)-diethylsilyl]propan-1-amine
SMILESCCC(N)[Si](CC)(CC)c1cccc(OC)c1OC
InChIInChI=1S/C15H27NO2Si/c1-6-14(16)19(7-2,8-3)13-11-9-10-12(17-4)15(13)18-5/h9-11,14H,6-8,16H2,1-5H3
InChIKeyDFDAGGWRWUIOTK-UHFFFAOYSA-N
XLogP2.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2,3-dimethoxyphenyl)-diethoxysilane
CID 175436947
(1S)-1-(2,3-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171218798
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 171201163
1-[2-(2,6-dimethoxyphenoxy)phenyl]propan-1-amine
CID 115995509
(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 55278892
1-(1-fluoropropyl)-2,3-dimethoxybenzene
CID 91020266
(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 79024645
1-(2,3-dimethoxyphenyl)-2-methylpentan-1-amine
CID 114013501
propanal;1,2,3-trimethoxybenzene
CID 174975216
butan-2-yl-(2,3-dimethoxyphenyl)diazene
CID 175398885

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)-diethylsilyl]propan-1-amine?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)-diethylsilyl]propan-1-amine (CID 175271971) is 1-[(2,3-dimethoxyphenyl)-diethylsilyl]propan-1-amine.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)-diethylsilyl]propan-1-amine?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)-diethylsilyl]propan-1-amine is CCC(N)[Si](CC)(CC)c1cccc(OC)c1OC.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)-diethylsilyl]propan-1-amine?
The InChIKey is DFDAGGWRWUIOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2Si/c1-6-14(16)19(7-2,8-3)13-11-9-10-12(17-4)15(13)18-5/h9-11,14H,6-8,16H2,1-5H3.
What are the key properties of 1-[(2,3-dimethoxyphenyl)-diethylsilyl]propan-1-amine?
1-[(2,3-dimethoxyphenyl)-diethylsilyl]propan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxyphenyl)-diethylsilyl]propan-1-amine is sourced from PubChem (CID 175271971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).