2-[4-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]anilino]ethanol

C20H37NO2Si — CID 154684534

IUPAC2-[4-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]anilino]ethanol
SMILESCc1ccc(N(CCO)CCO[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C20H37NO2Si/c1-16(2)24(17(3)4,18(5)6)23-15-13-21(12-14-22)20-10-8-19(7)9-11-20/h8-11,16-18,22H,12-15H2,1-7H3
InChIKeyLPGUWDBVPUBDHY-UHFFFAOYSA-N
MW351.61 g/mol
LogP4.99
Rot. Bonds10

About 2-[4-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]anilino]ethanol

2-[4-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]anilino]ethanol (PubChem CID 154684534) has the molecular formula C20H37NO2Si and a molecular weight of 351.61 g/mol. Its IUPAC name is 2-[4-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]anilino]ethanol.

Molecular Properties

Compound Name2-[4-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]anilino]ethanol
PubChem CID154684534
Molecular FormulaC20H37NO2Si
Molecular Weight351.61 g/mol
Exact Mass351.26
IUPAC Name2-[4-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]anilino]ethanol
SMILESCc1ccc(N(CCO)CCO[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C20H37NO2Si/c1-16(2)24(17(3)4,18(5)6)23-15-13-21(12-14-22)20-10-8-19(7)9-11-20/h8-11,16-18,22H,12-15H2,1-7H3
InChIKeyLPGUWDBVPUBDHY-UHFFFAOYSA-N
XLogP4.99
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.61
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N,N-Bis(2-hydroxyethyl)-p-toluidine
CID 76497
2-(N-ethyl-m-toluidino)ethanol
CID 7067
2,2'-((3-Methylphenyl)imino)bisethanol
CID 7073
N,N-Bis(2-hydroxypropyl)-p-toluidine
CID 161976
2,2'-((2-Methylphenyl)imino)bisethanol
CID 96723
Hydroxyethyl methyltolylamine
CID 76094
Ethanol, 2-(4-methylphenyl)amino-
CID 220008
Poly(oxy-1,2-ethanediyl), alpha,alpha'-[[(4-methylphenyl)imino]di-2,1-ethanediyl]bis[omega-hydroxy-
CID 21301195
Diethyl 4-(bis-(2-hydroxyethyl)-amino)-benzylphosphonate
CID 231349
Benzenemethanaminium, N,N-bis(2-hydroxyethyl)-N-phenyl-, chloride (1:1)
CID 44150548
4-(Bis(2-hydroxyethyl)amino)benzeneacetonitrile
CID 232409
Piperazine, 1-(4-methylphenyl)-4-(2-((trimethylsilyl)oxy)ethyl)-
CID 3088550

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]anilino]ethanol?
The IUPAC name of 2-[4-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]anilino]ethanol (CID 154684534) is 2-[4-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]anilino]ethanol.
What is the SMILES notation for 2-[4-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]anilino]ethanol?
The canonical SMILES for 2-[4-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]anilino]ethanol is Cc1ccc(N(CCO)CCO[Si](C(C)C)(C(C)C)C(C)C)cc1.
What is the InChIKey of 2-[4-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]anilino]ethanol?
The InChIKey is LPGUWDBVPUBDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO2Si/c1-16(2)24(17(3)4,18(5)6)23-15-13-21(12-14-22)20-10-8-19(7)9-11-20/h8-11,16-18,22H,12-15H2,1-7H3.
What are the key properties of 2-[4-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]anilino]ethanol?
2-[4-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]anilino]ethanol has a molecular weight of 351.61 g/mol, XLogP of 4.99, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]anilino]ethanol is sourced from PubChem (CID 154684534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).