CID 90251753

C12H20NOSi — CID 90251753

IUPAC—
SMILESCOc1cc(CCC[Si](C)C)ccc1N
InChIInChI=1S/C12H20NOSi/c1-14-12-9-10(6-7-11(12)13)5-4-8-15(2)3/h6-7,9H,4-5,8,13H2,1-3H3
InChIKeyUZIRBMJBTASYRH-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.96
Rot. Bonds5

About CID 90251753

CID 90251753 (PubChem CID 90251753) has the molecular formula C12H20NOSi and a molecular weight of 222.38 g/mol.

Molecular Properties

Compound NameCID 90251753
PubChem CID90251753
Molecular FormulaC12H20NOSi
Molecular Weight222.38 g/mol
Exact Mass222.13
IUPAC Name—
SMILESCOc1cc(CCC[Si](C)C)ccc1N
InChIInChI=1S/C12H20NOSi/c1-14-12-9-10(6-7-11(12)13)5-4-8-15(2)3/h6-7,9H,4-5,8,13H2,1-3H3
InChIKeyUZIRBMJBTASYRH-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hexyl-2-methoxyaniline
CID 70551686
4-(2-aminoethyl)-2-methoxyaniline;dihydrochloride
CID 122360118
4-[2-(diethylamino)ethyl]-2-methoxyaniline
CID 89182820
3-(4-amino-3-methoxyphenyl)propoxy-ethyl-oxophosphanium
CID 123475670
4-[(4-amino-3-methoxyphenyl)methyl]-2,6-dimethoxyaniline
CID 22753068
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
2-(4-amino-3-methoxyphenyl)ethyl-ethylphosphinic acid
CID 67256217
(4-amino-3-methoxyphenyl)methanesulfinate
CID 89243185
2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide
CID 130276414
2-methoxy-4-(2-morpholin-4-ylethyl)aniline
CID 57416115
(4-amino-3-methoxyphenyl)methanesulfinic acid
CID 89243186
(4-amino-3-methoxyphenyl)methyl-methylphosphinic acid
CID 67480322

Frequently Asked Questions

What is the IUPAC name of CID 90251753?
The IUPAC name of CID 90251753 (CID 90251753) is not available.
What is the SMILES notation for CID 90251753?
The canonical SMILES for CID 90251753 is COc1cc(CCC[Si](C)C)ccc1N.
What is the InChIKey of CID 90251753?
The InChIKey is UZIRBMJBTASYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NOSi/c1-14-12-9-10(6-7-11(12)13)5-4-8-15(2)3/h6-7,9H,4-5,8,13H2,1-3H3.
What are the key properties of CID 90251753?
CID 90251753 has a molecular weight of 222.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90251753 is sourced from PubChem (CID 90251753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).