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

C32H44N2 — CID 54528925

IUPAC4-[1-[4-(diethylamino)-2-ethylphenyl]-2-phenylethyl]-N,N,3-triethylaniline
SMILESCCc1cc(N(CC)CC)ccc1C(Cc1ccccc1)c1ccc(N(CC)CC)cc1CC
InChIInChI=1S/C32H44N2/c1-7-26-23-28(33(9-3)10-4)18-20-30(26)32(22-25-16-14-13-15-17-25)31-21-19-29(24-27(31)8-2)34(11-5)12-6/h13-21,23-24,32H,7-12,22H2,1-6H3
InChIKeyYVCAVZIDYIOWEA-UHFFFAOYSA-N
MW456.72 g/mol
LogP7.88
Rot. Bonds12

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

4-[1-[4-(diethylamino)-2-ethylphenyl]-2-phenylethyl]-N,N,3-triethylaniline (PubChem CID 54528925) has the molecular formula C32H44N2 and a molecular weight of 456.72 g/mol. Its IUPAC name is 4-[1-[4-(diethylamino)-2-ethylphenyl]-2-phenylethyl]-N,N,3-triethylaniline.

Molecular Properties

Compound Name4-[1-[4-(diethylamino)-2-ethylphenyl]-2-phenylethyl]-N,N,3-triethylaniline
PubChem CID54528925
Molecular FormulaC32H44N2
Molecular Weight456.72 g/mol
Exact Mass456.35
IUPAC Name4-[1-[4-(diethylamino)-2-ethylphenyl]-2-phenylethyl]-N,N,3-triethylaniline
SMILESCCc1cc(N(CC)CC)ccc1C(Cc1ccccc1)c1ccc(N(CC)CC)cc1CC
InChIInChI=1S/C32H44N2/c1-7-26-23-28(33(9-3)10-4)18-20-30(26)32(22-25-16-14-13-15-17-25)31-21-19-29(24-27(31)8-2)34(11-5)12-6/h13-21,23-24,32H,7-12,22H2,1-6H3
InChIKeyYVCAVZIDYIOWEA-UHFFFAOYSA-N
XLogP7.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.72
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(diethylamino)-2-ethylphenyl]-2-phenylethyl]-N,N,3-triethylaniline?
The IUPAC name of 4-[1-[4-(diethylamino)-2-ethylphenyl]-2-phenylethyl]-N,N,3-triethylaniline (CID 54528925) is 4-[1-[4-(diethylamino)-2-ethylphenyl]-2-phenylethyl]-N,N,3-triethylaniline.
What is the SMILES notation for 4-[1-[4-(diethylamino)-2-ethylphenyl]-2-phenylethyl]-N,N,3-triethylaniline?
The canonical SMILES for 4-[1-[4-(diethylamino)-2-ethylphenyl]-2-phenylethyl]-N,N,3-triethylaniline is CCc1cc(N(CC)CC)ccc1C(Cc1ccccc1)c1ccc(N(CC)CC)cc1CC.
What is the InChIKey of 4-[1-[4-(diethylamino)-2-ethylphenyl]-2-phenylethyl]-N,N,3-triethylaniline?
The InChIKey is YVCAVZIDYIOWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N2/c1-7-26-23-28(33(9-3)10-4)18-20-30(26)32(22-25-16-14-13-15-17-25)31-21-19-29(24-27(31)8-2)34(11-5)12-6/h13-21,23-24,32H,7-12,22H2,1-6H3.
What are the key properties of 4-[1-[4-(diethylamino)-2-ethylphenyl]-2-phenylethyl]-N,N,3-triethylaniline?
4-[1-[4-(diethylamino)-2-ethylphenyl]-2-phenylethyl]-N,N,3-triethylaniline has a molecular weight of 456.72 g/mol, XLogP of 7.88, 12 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]-2-phenylethyl]-N,N,3-triethylaniline is sourced from PubChem (CID 54528925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).