2-[4-amino-N-(2-hydroxyethyl)-2-(4-trimethylsilylphenyl)anilino]ethanol

C19H28N2O2Si — CID 18371922

IUPAC2-[4-amino-N-(2-hydroxyethyl)-2-(4-trimethylsilylphenyl)anilino]ethanol
SMILESC[Si](C)(C)c1ccc(-c2cc(N)ccc2N(CCO)CCO)cc1
InChIInChI=1S/C19H28N2O2Si/c1-24(2,3)17-7-4-15(5-8-17)18-14-16(20)6-9-19(18)21(10-12-22)11-13-23/h4-9,14,22-23H,10-13,20H2,1-3H3
InChIKeyNNQFCYHQBNRVAK-UHFFFAOYSA-N
MW344.53 g/mol
LogP2.27
Rot. Bonds7

About 2-[4-amino-N-(2-hydroxyethyl)-2-(4-trimethylsilylphenyl)anilino]ethanol

2-[4-amino-N-(2-hydroxyethyl)-2-(4-trimethylsilylphenyl)anilino]ethanol (PubChem CID 18371922) has the molecular formula C19H28N2O2Si and a molecular weight of 344.53 g/mol. Its IUPAC name is 2-[4-amino-N-(2-hydroxyethyl)-2-(4-trimethylsilylphenyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-amino-N-(2-hydroxyethyl)-2-(4-trimethylsilylphenyl)anilino]ethanol
PubChem CID18371922
Molecular FormulaC19H28N2O2Si
Molecular Weight344.53 g/mol
Exact Mass344.19
IUPAC Name2-[4-amino-N-(2-hydroxyethyl)-2-(4-trimethylsilylphenyl)anilino]ethanol
SMILESC[Si](C)(C)c1ccc(-c2cc(N)ccc2N(CCO)CCO)cc1
InChIInChI=1S/C19H28N2O2Si/c1-24(2,3)17-7-4-15(5-8-17)18-14-16(20)6-9-19(18)21(10-12-22)11-13-23/h4-9,14,22-23H,10-13,20H2,1-3H3
InChIKeyNNQFCYHQBNRVAK-UHFFFAOYSA-N
XLogP2.27
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-N-(2-hydroxyethyl)-2-(4-trimethylsilylphenyl)anilino]ethanol?
The IUPAC name of 2-[4-amino-N-(2-hydroxyethyl)-2-(4-trimethylsilylphenyl)anilino]ethanol (CID 18371922) is 2-[4-amino-N-(2-hydroxyethyl)-2-(4-trimethylsilylphenyl)anilino]ethanol.
What is the SMILES notation for 2-[4-amino-N-(2-hydroxyethyl)-2-(4-trimethylsilylphenyl)anilino]ethanol?
The canonical SMILES for 2-[4-amino-N-(2-hydroxyethyl)-2-(4-trimethylsilylphenyl)anilino]ethanol is C[Si](C)(C)c1ccc(-c2cc(N)ccc2N(CCO)CCO)cc1.
What is the InChIKey of 2-[4-amino-N-(2-hydroxyethyl)-2-(4-trimethylsilylphenyl)anilino]ethanol?
The InChIKey is NNQFCYHQBNRVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2Si/c1-24(2,3)17-7-4-15(5-8-17)18-14-16(20)6-9-19(18)21(10-12-22)11-13-23/h4-9,14,22-23H,10-13,20H2,1-3H3.
What are the key properties of 2-[4-amino-N-(2-hydroxyethyl)-2-(4-trimethylsilylphenyl)anilino]ethanol?
2-[4-amino-N-(2-hydroxyethyl)-2-(4-trimethylsilylphenyl)anilino]ethanol has a molecular weight of 344.53 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-N-(2-hydroxyethyl)-2-(4-trimethylsilylphenyl)anilino]ethanol is sourced from PubChem (CID 18371922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).