4-[1-(4-amino-3-ethyl-5-methylphenyl)-1-(4-phenylphenyl)ethyl]-2-ethyl-6-methylaniline

C32H36N2 — CID 146637457

IUPAC4-[1-(4-amino-3-ethyl-5-methylphenyl)-1-(4-phenylphenyl)ethyl]-2-ethyl-6-methylaniline
SMILESCCc1cc(C(C)(c2ccc(-c3ccccc3)cc2)c2cc(C)c(N)c(CC)c2)cc(C)c1N
InChIInChI=1S/C32H36N2/c1-6-23-19-28(17-21(3)30(23)33)32(5,29-18-22(4)31(34)24(7-2)20-29)27-15-13-26(14-16-27)25-11-9-8-10-12-25/h8-20H,6-7,33-34H2,1-5H3
InChIKeyOZMYVXTVVIUKCL-UHFFFAOYSA-N
MW448.65 g/mol
LogP7.61
Rot. Bonds6

About 4-[1-(4-amino-3-ethyl-5-methylphenyl)-1-(4-phenylphenyl)ethyl]-2-ethyl-6-methylaniline

4-[1-(4-amino-3-ethyl-5-methylphenyl)-1-(4-phenylphenyl)ethyl]-2-ethyl-6-methylaniline (PubChem CID 146637457) has the molecular formula C32H36N2 and a molecular weight of 448.65 g/mol. Its IUPAC name is 4-[1-(4-amino-3-ethyl-5-methylphenyl)-1-(4-phenylphenyl)ethyl]-2-ethyl-6-methylaniline.

Molecular Properties

Compound Name4-[1-(4-amino-3-ethyl-5-methylphenyl)-1-(4-phenylphenyl)ethyl]-2-ethyl-6-methylaniline
PubChem CID146637457
Molecular FormulaC32H36N2
Molecular Weight448.65 g/mol
Exact Mass448.29
IUPAC Name4-[1-(4-amino-3-ethyl-5-methylphenyl)-1-(4-phenylphenyl)ethyl]-2-ethyl-6-methylaniline
SMILESCCc1cc(C(C)(c2ccc(-c3ccccc3)cc2)c2cc(C)c(N)c(CC)c2)cc(C)c1N
InChIInChI=1S/C32H36N2/c1-6-23-19-28(17-21(3)30(23)33)32(5,29-18-22(4)31(34)24(7-2)20-29)27-15-13-26(14-16-27)25-11-9-8-10-12-25/h8-20H,6-7,33-34H2,1-5H3
InChIKeyOZMYVXTVVIUKCL-UHFFFAOYSA-N
XLogP7.61
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.65
LogP ≤ 57.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-amino-3-ethyl-5-methylphenyl)-1-(4-phenylphenyl)ethyl]-2-ethyl-6-methylaniline?
The IUPAC name of 4-[1-(4-amino-3-ethyl-5-methylphenyl)-1-(4-phenylphenyl)ethyl]-2-ethyl-6-methylaniline (CID 146637457) is 4-[1-(4-amino-3-ethyl-5-methylphenyl)-1-(4-phenylphenyl)ethyl]-2-ethyl-6-methylaniline.
What is the SMILES notation for 4-[1-(4-amino-3-ethyl-5-methylphenyl)-1-(4-phenylphenyl)ethyl]-2-ethyl-6-methylaniline?
The canonical SMILES for 4-[1-(4-amino-3-ethyl-5-methylphenyl)-1-(4-phenylphenyl)ethyl]-2-ethyl-6-methylaniline is CCc1cc(C(C)(c2ccc(-c3ccccc3)cc2)c2cc(C)c(N)c(CC)c2)cc(C)c1N.
What is the InChIKey of 4-[1-(4-amino-3-ethyl-5-methylphenyl)-1-(4-phenylphenyl)ethyl]-2-ethyl-6-methylaniline?
The InChIKey is OZMYVXTVVIUKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2/c1-6-23-19-28(17-21(3)30(23)33)32(5,29-18-22(4)31(34)24(7-2)20-29)27-15-13-26(14-16-27)25-11-9-8-10-12-25/h8-20H,6-7,33-34H2,1-5H3.
What are the key properties of 4-[1-(4-amino-3-ethyl-5-methylphenyl)-1-(4-phenylphenyl)ethyl]-2-ethyl-6-methylaniline?
4-[1-(4-amino-3-ethyl-5-methylphenyl)-1-(4-phenylphenyl)ethyl]-2-ethyl-6-methylaniline has a molecular weight of 448.65 g/mol, XLogP of 7.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-amino-3-ethyl-5-methylphenyl)-1-(4-phenylphenyl)ethyl]-2-ethyl-6-methylaniline is sourced from PubChem (CID 146637457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).