1-[4-(3-aminopropyl)phenyl]-3-[hydroxy(dimethyl)silyl]propan-1-one

C14H23NO2Si — CID 152971743

IUPAC1-[4-(3-aminopropyl)phenyl]-3-[hydroxy(dimethyl)silyl]propan-1-one
SMILESC[Si](C)(O)CCC(=O)c1ccc(CCCN)cc1
InChIInChI=1S/C14H23NO2Si/c1-18(2,17)11-9-14(16)13-7-5-12(6-8-13)4-3-10-15/h5-8,17H,3-4,9-11,15H2,1-2H3
InChIKeyUSPPQXFGRQIDAX-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.35
Rot. Bonds7

About 1-[4-(3-aminopropyl)phenyl]-3-[hydroxy(dimethyl)silyl]propan-1-one

1-[4-(3-aminopropyl)phenyl]-3-[hydroxy(dimethyl)silyl]propan-1-one (PubChem CID 152971743) has the molecular formula C14H23NO2Si and a molecular weight of 265.43 g/mol. Its IUPAC name is 1-[4-(3-aminopropyl)phenyl]-3-[hydroxy(dimethyl)silyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(3-aminopropyl)phenyl]-3-[hydroxy(dimethyl)silyl]propan-1-one
PubChem CID152971743
Molecular FormulaC14H23NO2Si
Molecular Weight265.43 g/mol
Exact Mass265.15
IUPAC Name1-[4-(3-aminopropyl)phenyl]-3-[hydroxy(dimethyl)silyl]propan-1-one
SMILESC[Si](C)(O)CCC(=O)c1ccc(CCCN)cc1
InChIInChI=1S/C14H23NO2Si/c1-18(2,17)11-9-14(16)13-7-5-12(6-8-13)4-3-10-15/h5-8,17H,3-4,9-11,15H2,1-2H3
InChIKeyUSPPQXFGRQIDAX-UHFFFAOYSA-N
XLogP2.35
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-[4-(3-fluoropropyl)phenyl]propan-1-one
CID 117298773
4-(3-aminopropyl)-N,N-dimethylbenzamide;oxalic acid
CID 70523631
4-(4-butylphenyl)-4-oxobutanamide
CID 47319697
S-[2-[4-(4-aminobutanoyl)phenyl]ethyl] pentanethioate
CID 159944909
1-[4-[3-(4-propanoylphenyl)propyl]phenyl]propan-1-one
CID 134887749
3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride
CID 22743257
2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
CID 58311916
ethyl 4-oxo-4-(4-pentylphenyl)butanoate
CID 24727550
1,6-bis[4-(2-bromoethyl)phenyl]hexane-1,6-dione
CID 165348518
1-(4-butylphenyl)heptane-1,5-dione
CID 58301472
4-(4-heptylphenyl)-4-oxobutanoic acid
CID 2801472
7-(4-butylphenyl)-7-oxoheptanoic acid
CID 24727167

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminopropyl)phenyl]-3-[hydroxy(dimethyl)silyl]propan-1-one?
The IUPAC name of 1-[4-(3-aminopropyl)phenyl]-3-[hydroxy(dimethyl)silyl]propan-1-one (CID 152971743) is 1-[4-(3-aminopropyl)phenyl]-3-[hydroxy(dimethyl)silyl]propan-1-one.
What is the SMILES notation for 1-[4-(3-aminopropyl)phenyl]-3-[hydroxy(dimethyl)silyl]propan-1-one?
The canonical SMILES for 1-[4-(3-aminopropyl)phenyl]-3-[hydroxy(dimethyl)silyl]propan-1-one is C[Si](C)(O)CCC(=O)c1ccc(CCCN)cc1.
What is the InChIKey of 1-[4-(3-aminopropyl)phenyl]-3-[hydroxy(dimethyl)silyl]propan-1-one?
The InChIKey is USPPQXFGRQIDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2Si/c1-18(2,17)11-9-14(16)13-7-5-12(6-8-13)4-3-10-15/h5-8,17H,3-4,9-11,15H2,1-2H3.
What are the key properties of 1-[4-(3-aminopropyl)phenyl]-3-[hydroxy(dimethyl)silyl]propan-1-one?
1-[4-(3-aminopropyl)phenyl]-3-[hydroxy(dimethyl)silyl]propan-1-one has a molecular weight of 265.43 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminopropyl)phenyl]-3-[hydroxy(dimethyl)silyl]propan-1-one is sourced from PubChem (CID 152971743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).