2-[[2-(diethylamino)-5-methylphenyl]-[4-(diethylamino)phenyl]methyl]-N,N-diethyl-4-methylaniline

C33H47N3 — CID 69278893

IUPAC2-[[2-(diethylamino)-5-methylphenyl]-[4-(diethylamino)phenyl]methyl]-N,N-diethyl-4-methylaniline
SMILESCCN(CC)c1ccc(C(c2cc(C)ccc2N(CC)CC)c2cc(C)ccc2N(CC)CC)cc1
InChIInChI=1S/C33H47N3/c1-9-34(10-2)28-19-17-27(18-20-28)33(29-23-25(7)15-21-31(29)35(11-3)12-4)30-24-26(8)16-22-32(30)36(13-5)14-6/h15-24,33H,9-14H2,1-8H3
InChIKeyDNYDVBMIVQBXAF-UHFFFAOYSA-N
MW485.76 g/mol
LogP8.02
Rot. Bonds12

About 2-[[2-(diethylamino)-5-methylphenyl]-[4-(diethylamino)phenyl]methyl]-N,N-diethyl-4-methylaniline

2-[[2-(diethylamino)-5-methylphenyl]-[4-(diethylamino)phenyl]methyl]-N,N-diethyl-4-methylaniline (PubChem CID 69278893) has the molecular formula C33H47N3 and a molecular weight of 485.76 g/mol. Its IUPAC name is 2-[[2-(diethylamino)-5-methylphenyl]-[4-(diethylamino)phenyl]methyl]-N,N-diethyl-4-methylaniline.

Molecular Properties

Compound Name2-[[2-(diethylamino)-5-methylphenyl]-[4-(diethylamino)phenyl]methyl]-N,N-diethyl-4-methylaniline
PubChem CID69278893
Molecular FormulaC33H47N3
Molecular Weight485.76 g/mol
Exact Mass485.38
IUPAC Name2-[[2-(diethylamino)-5-methylphenyl]-[4-(diethylamino)phenyl]methyl]-N,N-diethyl-4-methylaniline
SMILESCCN(CC)c1ccc(C(c2cc(C)ccc2N(CC)CC)c2cc(C)ccc2N(CC)CC)cc1
InChIInChI=1S/C33H47N3/c1-9-34(10-2)28-19-17-27(18-20-28)33(29-23-25(7)15-21-31(29)35(11-3)12-4)30-24-26(8)16-22-32(30)36(13-5)14-6/h15-24,33H,9-14H2,1-8H3
InChIKeyDNYDVBMIVQBXAF-UHFFFAOYSA-N
XLogP8.02
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.76
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylamino)-5-methylphenyl]-[4-(diethylamino)phenyl]methyl]-N,N-diethyl-4-methylaniline?
The IUPAC name of 2-[[2-(diethylamino)-5-methylphenyl]-[4-(diethylamino)phenyl]methyl]-N,N-diethyl-4-methylaniline (CID 69278893) is 2-[[2-(diethylamino)-5-methylphenyl]-[4-(diethylamino)phenyl]methyl]-N,N-diethyl-4-methylaniline.
What is the SMILES notation for 2-[[2-(diethylamino)-5-methylphenyl]-[4-(diethylamino)phenyl]methyl]-N,N-diethyl-4-methylaniline?
The canonical SMILES for 2-[[2-(diethylamino)-5-methylphenyl]-[4-(diethylamino)phenyl]methyl]-N,N-diethyl-4-methylaniline is CCN(CC)c1ccc(C(c2cc(C)ccc2N(CC)CC)c2cc(C)ccc2N(CC)CC)cc1.
What is the InChIKey of 2-[[2-(diethylamino)-5-methylphenyl]-[4-(diethylamino)phenyl]methyl]-N,N-diethyl-4-methylaniline?
The InChIKey is DNYDVBMIVQBXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H47N3/c1-9-34(10-2)28-19-17-27(18-20-28)33(29-23-25(7)15-21-31(29)35(11-3)12-4)30-24-26(8)16-22-32(30)36(13-5)14-6/h15-24,33H,9-14H2,1-8H3.
What are the key properties of 2-[[2-(diethylamino)-5-methylphenyl]-[4-(diethylamino)phenyl]methyl]-N,N-diethyl-4-methylaniline?
2-[[2-(diethylamino)-5-methylphenyl]-[4-(diethylamino)phenyl]methyl]-N,N-diethyl-4-methylaniline has a molecular weight of 485.76 g/mol, XLogP of 8.02, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylamino)-5-methylphenyl]-[4-(diethylamino)phenyl]methyl]-N,N-diethyl-4-methylaniline is sourced from PubChem (CID 69278893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).