4-[1-[4-(diethylamino)-2-ethylphenyl]-1-(4-methylphenyl)ethyl]-N,N,3-triethylaniline

C33H46N2 — CID 69118407

IUPAC4-[1-[4-(diethylamino)-2-ethylphenyl]-1-(4-methylphenyl)ethyl]-N,N,3-triethylaniline
SMILESCCc1cc(N(CC)CC)ccc1C(C)(c1ccc(C)cc1)c1ccc(N(CC)CC)cc1CC
InChIInChI=1S/C33H46N2/c1-9-26-23-29(34(11-3)12-4)19-21-31(26)33(8,28-17-15-25(7)16-18-28)32-22-20-30(24-27(32)10-2)35(13-5)14-6/h15-24H,9-14H2,1-8H3
InChIKeyUAZITWNDKDBBKD-UHFFFAOYSA-N
MW470.75 g/mol
LogP8.17
Rot. Bonds11

About 4-[1-[4-(diethylamino)-2-ethylphenyl]-1-(4-methylphenyl)ethyl]-N,N,3-triethylaniline

4-[1-[4-(diethylamino)-2-ethylphenyl]-1-(4-methylphenyl)ethyl]-N,N,3-triethylaniline (PubChem CID 69118407) has the molecular formula C33H46N2 and a molecular weight of 470.75 g/mol. Its IUPAC name is 4-[1-[4-(diethylamino)-2-ethylphenyl]-1-(4-methylphenyl)ethyl]-N,N,3-triethylaniline.

Molecular Properties

Compound Name4-[1-[4-(diethylamino)-2-ethylphenyl]-1-(4-methylphenyl)ethyl]-N,N,3-triethylaniline
PubChem CID69118407
Molecular FormulaC33H46N2
Molecular Weight470.75 g/mol
Exact Mass470.37
IUPAC Name4-[1-[4-(diethylamino)-2-ethylphenyl]-1-(4-methylphenyl)ethyl]-N,N,3-triethylaniline
SMILESCCc1cc(N(CC)CC)ccc1C(C)(c1ccc(C)cc1)c1ccc(N(CC)CC)cc1CC
InChIInChI=1S/C33H46N2/c1-9-26-23-29(34(11-3)12-4)19-21-31(26)33(8,28-17-15-25(7)16-18-28)32-22-20-30(24-27(32)10-2)35(13-5)14-6/h15-24H,9-14H2,1-8H3
InChIKeyUAZITWNDKDBBKD-UHFFFAOYSA-N
XLogP8.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.75
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(diethylamino)-2-ethylphenyl]-1-(4-methylphenyl)ethyl]-N,N,3-triethylaniline?
The IUPAC name of 4-[1-[4-(diethylamino)-2-ethylphenyl]-1-(4-methylphenyl)ethyl]-N,N,3-triethylaniline (CID 69118407) is 4-[1-[4-(diethylamino)-2-ethylphenyl]-1-(4-methylphenyl)ethyl]-N,N,3-triethylaniline.
What is the SMILES notation for 4-[1-[4-(diethylamino)-2-ethylphenyl]-1-(4-methylphenyl)ethyl]-N,N,3-triethylaniline?
The canonical SMILES for 4-[1-[4-(diethylamino)-2-ethylphenyl]-1-(4-methylphenyl)ethyl]-N,N,3-triethylaniline is CCc1cc(N(CC)CC)ccc1C(C)(c1ccc(C)cc1)c1ccc(N(CC)CC)cc1CC.
What is the InChIKey of 4-[1-[4-(diethylamino)-2-ethylphenyl]-1-(4-methylphenyl)ethyl]-N,N,3-triethylaniline?
The InChIKey is UAZITWNDKDBBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46N2/c1-9-26-23-29(34(11-3)12-4)19-21-31(26)33(8,28-17-15-25(7)16-18-28)32-22-20-30(24-27(32)10-2)35(13-5)14-6/h15-24H,9-14H2,1-8H3.
What are the key properties of 4-[1-[4-(diethylamino)-2-ethylphenyl]-1-(4-methylphenyl)ethyl]-N,N,3-triethylaniline?
4-[1-[4-(diethylamino)-2-ethylphenyl]-1-(4-methylphenyl)ethyl]-N,N,3-triethylaniline has a molecular weight of 470.75 g/mol, XLogP of 8.17, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(diethylamino)-2-ethylphenyl]-1-(4-methylphenyl)ethyl]-N,N,3-triethylaniline is sourced from PubChem (CID 69118407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).