N-(4-dimethoxysilylbutyl)-4-methoxyaniline

C13H23NO3Si — CID 173092192

IUPACN-(4-dimethoxysilylbutyl)-4-methoxyaniline
SMILESCOc1ccc(NCCCC[SiH](OC)OC)cc1
InChIInChI=1S/C13H23NO3Si/c1-15-13-8-6-12(7-9-13)14-10-4-5-11-18(16-2)17-3/h6-9,14,18H,4-5,10-11H2,1-3H3
InChIKeyBPHZLGGWCKHOIZ-UHFFFAOYSA-N
MW269.42 g/mol
LogP2.40
Rot. Bonds9

About N-(4-dimethoxysilylbutyl)-4-methoxyaniline

N-(4-dimethoxysilylbutyl)-4-methoxyaniline (PubChem CID 173092192) has the molecular formula C13H23NO3Si and a molecular weight of 269.42 g/mol. Its IUPAC name is N-(4-dimethoxysilylbutyl)-4-methoxyaniline.

Molecular Properties

Compound NameN-(4-dimethoxysilylbutyl)-4-methoxyaniline
PubChem CID173092192
Molecular FormulaC13H23NO3Si
Molecular Weight269.42 g/mol
Exact Mass269.14
IUPAC NameN-(4-dimethoxysilylbutyl)-4-methoxyaniline
SMILESCOc1ccc(NCCCC[SiH](OC)OC)cc1
InChIInChI=1S/C13H23NO3Si/c1-15-13-8-6-12(7-9-13)14-10-4-5-11-18(16-2)17-3/h6-9,14,18H,4-5,10-11H2,1-3H3
InChIKeyBPHZLGGWCKHOIZ-UHFFFAOYSA-N
XLogP2.40
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(3-methoxypropyl)aniline
CID 60925973
4-methoxy-N-(4-methylsulfanylbutyl)aniline
CID 103087220
4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol
CID 115217433
4-methoxy-N-[3-[6-[3-(4-methoxyanilino)propoxy]naphthalen-2-yl]oxypropyl]aniline
CID 10096933
N-(4-chloro-4,4-difluorobutyl)-4-methoxyaniline
CID 67832517
4-chloro-N-[3-(4-methoxyphenyl)propyl]aniline
CID 69045313
N-(2-ethylsulfonylethyl)-4-methoxyaniline
CID 43807675
N'-(4-methoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
CID 54805853
4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 22693568
4-methoxy-N-(2,2,2-trifluoroethyl)aniline
CID 28585897
N-[3-(3,6-dibromocarbazol-9-yl)propyl]-4-methoxyaniline
CID 91116866
N-[3-(furan-2-yl)propyl]-4-methoxyaniline;hydrochloride
CID 71444012

Frequently Asked Questions

What is the IUPAC name of N-(4-dimethoxysilylbutyl)-4-methoxyaniline?
The IUPAC name of N-(4-dimethoxysilylbutyl)-4-methoxyaniline (CID 173092192) is N-(4-dimethoxysilylbutyl)-4-methoxyaniline.
What is the SMILES notation for N-(4-dimethoxysilylbutyl)-4-methoxyaniline?
The canonical SMILES for N-(4-dimethoxysilylbutyl)-4-methoxyaniline is COc1ccc(NCCCC[SiH](OC)OC)cc1.
What is the InChIKey of N-(4-dimethoxysilylbutyl)-4-methoxyaniline?
The InChIKey is BPHZLGGWCKHOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3Si/c1-15-13-8-6-12(7-9-13)14-10-4-5-11-18(16-2)17-3/h6-9,14,18H,4-5,10-11H2,1-3H3.
What are the key properties of N-(4-dimethoxysilylbutyl)-4-methoxyaniline?
N-(4-dimethoxysilylbutyl)-4-methoxyaniline has a molecular weight of 269.42 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dimethoxysilylbutyl)-4-methoxyaniline is sourced from PubChem (CID 173092192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).