4-[2-(4-amino-2-propan-2-ylphenyl)ethyl]-3-propan-2-ylaniline

C20H28N2 — CID 22019812

IUPAC4-[2-(4-amino-2-propan-2-ylphenyl)ethyl]-3-propan-2-ylaniline
SMILESCC(C)c1cc(N)ccc1CCc1ccc(N)cc1C(C)C
InChIInChI=1S/C20H28N2/c1-13(2)19-11-17(21)9-7-15(19)5-6-16-8-10-18(22)12-20(16)14(3)4/h7-14H,5-6,21-22H2,1-4H3
InChIKeyVROPGSIFZCRLBY-UHFFFAOYSA-N
MW296.46 g/mol
LogP4.88
Rot. Bonds5

About 4-[2-(4-amino-2-propan-2-ylphenyl)ethyl]-3-propan-2-ylaniline

4-[2-(4-amino-2-propan-2-ylphenyl)ethyl]-3-propan-2-ylaniline (PubChem CID 22019812) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 4-[2-(4-amino-2-propan-2-ylphenyl)ethyl]-3-propan-2-ylaniline.

Molecular Properties

Compound Name4-[2-(4-amino-2-propan-2-ylphenyl)ethyl]-3-propan-2-ylaniline
PubChem CID22019812
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name4-[2-(4-amino-2-propan-2-ylphenyl)ethyl]-3-propan-2-ylaniline
SMILESCC(C)c1cc(N)ccc1CCc1ccc(N)cc1C(C)C
InChIInChI=1S/C20H28N2/c1-13(2)19-11-17(21)9-7-15(19)5-6-16-8-10-18(22)12-20(16)14(3)4/h7-14H,5-6,21-22H2,1-4H3
InChIKeyVROPGSIFZCRLBY-UHFFFAOYSA-N
XLogP4.88
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-amino-2-propan-2-ylphenyl)ethyl]-3-propan-2-ylaniline?
The IUPAC name of 4-[2-(4-amino-2-propan-2-ylphenyl)ethyl]-3-propan-2-ylaniline (CID 22019812) is 4-[2-(4-amino-2-propan-2-ylphenyl)ethyl]-3-propan-2-ylaniline.
What is the SMILES notation for 4-[2-(4-amino-2-propan-2-ylphenyl)ethyl]-3-propan-2-ylaniline?
The canonical SMILES for 4-[2-(4-amino-2-propan-2-ylphenyl)ethyl]-3-propan-2-ylaniline is CC(C)c1cc(N)ccc1CCc1ccc(N)cc1C(C)C.
What is the InChIKey of 4-[2-(4-amino-2-propan-2-ylphenyl)ethyl]-3-propan-2-ylaniline?
The InChIKey is VROPGSIFZCRLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-13(2)19-11-17(21)9-7-15(19)5-6-16-8-10-18(22)12-20(16)14(3)4/h7-14H,5-6,21-22H2,1-4H3.
What are the key properties of 4-[2-(4-amino-2-propan-2-ylphenyl)ethyl]-3-propan-2-ylaniline?
4-[2-(4-amino-2-propan-2-ylphenyl)ethyl]-3-propan-2-ylaniline has a molecular weight of 296.46 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-amino-2-propan-2-ylphenyl)ethyl]-3-propan-2-ylaniline is sourced from PubChem (CID 22019812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).