N-ethylethanamine;1-ethyl-2-[1,2,2-tris(2-ethylphenyl)ethyl]benzene

C38H49N — CID 67736887

IUPACN-ethylethanamine;1-ethyl-2-[1,2,2-tris(2-ethylphenyl)ethyl]benzene
SMILESCCNCC.CCc1ccccc1C(c1ccccc1CC)C(c1ccccc1CC)c1ccccc1CC
InChIInChI=1S/C34H38.C4H11N/c1-5-25-17-9-13-21-29(25)33(30-22-14-10-18-26(30)6-2)34(31-23-15-11-19-27(31)7-3)32-24-16-12-20-28(32)8-4;1-3-5-4-2/h9-24,33-34H,5-8H2,1-4H3;5H,3-4H2,1-2H3
InChIKeyMZJQXFKURIAYEJ-UHFFFAOYSA-N
MW519.82 g/mol
LogP9.52
Rot. Bonds11

About N-ethylethanamine;1-ethyl-2-[1,2,2-tris(2-ethylphenyl)ethyl]benzene

N-ethylethanamine;1-ethyl-2-[1,2,2-tris(2-ethylphenyl)ethyl]benzene (PubChem CID 67736887) has the molecular formula C38H49N and a molecular weight of 519.82 g/mol. Its IUPAC name is N-ethylethanamine;1-ethyl-2-[1,2,2-tris(2-ethylphenyl)ethyl]benzene.

Molecular Properties

Compound NameN-ethylethanamine;1-ethyl-2-[1,2,2-tris(2-ethylphenyl)ethyl]benzene
PubChem CID67736887
Molecular FormulaC38H49N
Molecular Weight519.82 g/mol
Exact Mass519.39
IUPAC NameN-ethylethanamine;1-ethyl-2-[1,2,2-tris(2-ethylphenyl)ethyl]benzene
SMILESCCNCC.CCc1ccccc1C(c1ccccc1CC)C(c1ccccc1CC)c1ccccc1CC
InChIInChI=1S/C34H38.C4H11N/c1-5-25-17-9-13-21-29(25)33(30-22-14-10-18-26(30)6-2)34(31-23-15-11-19-27(31)7-3)32-24-16-12-20-28(32)8-4;1-3-5-4-2/h9-24,33-34H,5-8H2,1-4H3;5H,3-4H2,1-2H3
InChIKeyMZJQXFKURIAYEJ-UHFFFAOYSA-N
XLogP9.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.82
LogP ≤ 59.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;1-ethyl-2-[1,2,2-tris(2-ethylphenyl)ethyl]benzene?
The IUPAC name of N-ethylethanamine;1-ethyl-2-[1,2,2-tris(2-ethylphenyl)ethyl]benzene (CID 67736887) is N-ethylethanamine;1-ethyl-2-[1,2,2-tris(2-ethylphenyl)ethyl]benzene.
What is the SMILES notation for N-ethylethanamine;1-ethyl-2-[1,2,2-tris(2-ethylphenyl)ethyl]benzene?
The canonical SMILES for N-ethylethanamine;1-ethyl-2-[1,2,2-tris(2-ethylphenyl)ethyl]benzene is CCNCC.CCc1ccccc1C(c1ccccc1CC)C(c1ccccc1CC)c1ccccc1CC.
What is the InChIKey of N-ethylethanamine;1-ethyl-2-[1,2,2-tris(2-ethylphenyl)ethyl]benzene?
The InChIKey is MZJQXFKURIAYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38.C4H11N/c1-5-25-17-9-13-21-29(25)33(30-22-14-10-18-26(30)6-2)34(31-23-15-11-19-27(31)7-3)32-24-16-12-20-28(32)8-4;1-3-5-4-2/h9-24,33-34H,5-8H2,1-4H3;5H,3-4H2,1-2H3.
What are the key properties of N-ethylethanamine;1-ethyl-2-[1,2,2-tris(2-ethylphenyl)ethyl]benzene?
N-ethylethanamine;1-ethyl-2-[1,2,2-tris(2-ethylphenyl)ethyl]benzene has a molecular weight of 519.82 g/mol, XLogP of 9.52, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;1-ethyl-2-[1,2,2-tris(2-ethylphenyl)ethyl]benzene is sourced from PubChem (CID 67736887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).