4-[[4-(diethylamino)-2-methylphenyl]-(4-phenylphenyl)methyl]-N,N-diethyl-3-methylaniline

C35H42N2 — CID 70996934

IUPAC4-[[4-(diethylamino)-2-methylphenyl]-(4-phenylphenyl)methyl]-N,N-diethyl-3-methylaniline
SMILESCCN(CC)c1ccc(C(c2ccc(-c3ccccc3)cc2)c2ccc(N(CC)CC)cc2C)c(C)c1
InChIInChI=1S/C35H42N2/c1-7-36(8-2)31-20-22-33(26(5)24-31)35(34-23-21-32(25-27(34)6)37(9-3)10-4)30-18-16-29(17-19-30)28-14-12-11-13-15-28/h11-25,35H,7-10H2,1-6H3
InChIKeyHXPHUZPRXWHAOX-UHFFFAOYSA-N
MW490.74 g/mol
LogP8.84
Rot. Bonds10

About 4-[[4-(diethylamino)-2-methylphenyl]-(4-phenylphenyl)methyl]-N,N-diethyl-3-methylaniline

4-[[4-(diethylamino)-2-methylphenyl]-(4-phenylphenyl)methyl]-N,N-diethyl-3-methylaniline (PubChem CID 70996934) has the molecular formula C35H42N2 and a molecular weight of 490.74 g/mol. Its IUPAC name is 4-[[4-(diethylamino)-2-methylphenyl]-(4-phenylphenyl)methyl]-N,N-diethyl-3-methylaniline.

Molecular Properties

Compound Name4-[[4-(diethylamino)-2-methylphenyl]-(4-phenylphenyl)methyl]-N,N-diethyl-3-methylaniline
PubChem CID70996934
Molecular FormulaC35H42N2
Molecular Weight490.74 g/mol
Exact Mass490.33
IUPAC Name4-[[4-(diethylamino)-2-methylphenyl]-(4-phenylphenyl)methyl]-N,N-diethyl-3-methylaniline
SMILESCCN(CC)c1ccc(C(c2ccc(-c3ccccc3)cc2)c2ccc(N(CC)CC)cc2C)c(C)c1
InChIInChI=1S/C35H42N2/c1-7-36(8-2)31-20-22-33(26(5)24-31)35(34-23-21-32(25-27(34)6)37(9-3)10-4)30-18-16-29(17-19-30)28-14-12-11-13-15-28/h11-25,35H,7-10H2,1-6H3
InChIKeyHXPHUZPRXWHAOX-UHFFFAOYSA-N
XLogP8.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.74
LogP ≤ 58.84
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-[[4-(diethylamino)-2-methylphenyl]-(4-phenylphenyl)methyl]-N,N-diethyl-3-methylaniline?
The IUPAC name of 4-[[4-(diethylamino)-2-methylphenyl]-(4-phenylphenyl)methyl]-N,N-diethyl-3-methylaniline (CID 70996934) is 4-[[4-(diethylamino)-2-methylphenyl]-(4-phenylphenyl)methyl]-N,N-diethyl-3-methylaniline.
What is the SMILES notation for 4-[[4-(diethylamino)-2-methylphenyl]-(4-phenylphenyl)methyl]-N,N-diethyl-3-methylaniline?
The canonical SMILES for 4-[[4-(diethylamino)-2-methylphenyl]-(4-phenylphenyl)methyl]-N,N-diethyl-3-methylaniline is CCN(CC)c1ccc(C(c2ccc(-c3ccccc3)cc2)c2ccc(N(CC)CC)cc2C)c(C)c1.
What is the InChIKey of 4-[[4-(diethylamino)-2-methylphenyl]-(4-phenylphenyl)methyl]-N,N-diethyl-3-methylaniline?
The InChIKey is HXPHUZPRXWHAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42N2/c1-7-36(8-2)31-20-22-33(26(5)24-31)35(34-23-21-32(25-27(34)6)37(9-3)10-4)30-18-16-29(17-19-30)28-14-12-11-13-15-28/h11-25,35H,7-10H2,1-6H3.
What are the key properties of 4-[[4-(diethylamino)-2-methylphenyl]-(4-phenylphenyl)methyl]-N,N-diethyl-3-methylaniline?
4-[[4-(diethylamino)-2-methylphenyl]-(4-phenylphenyl)methyl]-N,N-diethyl-3-methylaniline has a molecular weight of 490.74 g/mol, XLogP of 8.84, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(diethylamino)-2-methylphenyl]-(4-phenylphenyl)methyl]-N,N-diethyl-3-methylaniline is sourced from PubChem (CID 70996934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).