CID 175044798

C14H14NOSi — CID 175044798

IUPAC—
SMILESCc1c([Si])ccc(Oc2ccc(N)cc2)c1C
InChIInChI=1S/C14H14NOSi/c1-9-10(2)14(17)8-7-13(9)16-12-5-3-11(15)4-6-12/h3-8H,15H2,1-2H3
InChIKeyFXGHKPIADLOSGD-UHFFFAOYSA-N
MW240.36 g/mol
LogP2.47
Rot. Bonds2

About CID 175044798

CID 175044798 (PubChem CID 175044798) has the molecular formula C14H14NOSi and a molecular weight of 240.36 g/mol.

Molecular Properties

Compound NameCID 175044798
PubChem CID175044798
Molecular FormulaC14H14NOSi
Molecular Weight240.36 g/mol
Exact Mass240.08
IUPAC Name—
SMILESCc1c([Si])ccc(Oc2ccc(N)cc2)c1C
InChIInChI=1S/C14H14NOSi/c1-9-10(2)14(17)8-7-13(9)16-12-5-3-11(15)4-6-12/h3-8H,15H2,1-2H3
InChIKeyFXGHKPIADLOSGD-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-[4-[2-[4-[2-[4-(4-aminophenoxy)-2,3-dimethylphenyl]propan-2-yl]phenyl]propan-2-yl]-2,3-dimethylphenoxy]aniline
CID 19020891
4-[3-(4-aminophenoxy)-2,5-dimethylphenoxy]aniline
CID 139877807
3,6-bis(4-aminophenoxy)benzene-1,2-diamine
CID 158381667
4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline
CID 15373716
4-(4-aminophenoxy)-2,3,5,6-tetramethylaniline
CID 15937172
4-(4-methylsulfonyl-2-nitrophenoxy)aniline
CID 61027295
4-(4-aminophenoxy)aniline
CID 161415647
4-[4-(4-aminophenoxy)-2,3-bis(trifluoromethyl)phenoxy]aniline
CID 141170037
4-[2-(4-aminophenoxy)phenoxy]aniline
CID 15373719
4-[3-(4-aminophenoxy)-4-[2,4-bis(4-aminophenoxy)phenoxy]phenoxy]aniline
CID 160580543
3-fluoro-4-(4-methylsulfonylphenoxy)aniline
CID 43806836
3-iodo-4-(4-methylsulfonylphenoxy)aniline
CID 66095645

Frequently Asked Questions

What is the IUPAC name of CID 175044798?
The IUPAC name of CID 175044798 (CID 175044798) is not available.
What is the SMILES notation for CID 175044798?
The canonical SMILES for CID 175044798 is Cc1c([Si])ccc(Oc2ccc(N)cc2)c1C.
What is the InChIKey of CID 175044798?
The InChIKey is FXGHKPIADLOSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14NOSi/c1-9-10(2)14(17)8-7-13(9)16-12-5-3-11(15)4-6-12/h3-8H,15H2,1-2H3.
What are the key properties of CID 175044798?
CID 175044798 has a molecular weight of 240.36 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175044798 is sourced from PubChem (CID 175044798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).