4-(4-amino-3-methyl-5-propan-2-ylphenyl)-2-methyl-6-propan-2-ylaniline

C20H28N2 — CID 139432981

IUPAC4-(4-amino-3-methyl-5-propan-2-ylphenyl)-2-methyl-6-propan-2-ylaniline
SMILESCc1cc(-c2cc(C)c(N)c(C(C)C)c2)cc(C(C)C)c1N
InChIInChI=1S/C20H28N2/c1-11(2)17-9-15(7-13(5)19(17)21)16-8-14(6)20(22)18(10-16)12(3)4/h7-12H,21-22H2,1-6H3
InChIKeyVKYWGCBHQQGBAC-UHFFFAOYSA-N
MW296.46 g/mol
LogP5.38
Rot. Bonds3

About 4-(4-amino-3-methyl-5-propan-2-ylphenyl)-2-methyl-6-propan-2-ylaniline

4-(4-amino-3-methyl-5-propan-2-ylphenyl)-2-methyl-6-propan-2-ylaniline (PubChem CID 139432981) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 4-(4-amino-3-methyl-5-propan-2-ylphenyl)-2-methyl-6-propan-2-ylaniline.

Molecular Properties

Compound Name4-(4-amino-3-methyl-5-propan-2-ylphenyl)-2-methyl-6-propan-2-ylaniline
PubChem CID139432981
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name4-(4-amino-3-methyl-5-propan-2-ylphenyl)-2-methyl-6-propan-2-ylaniline
SMILESCc1cc(-c2cc(C)c(N)c(C(C)C)c2)cc(C(C)C)c1N
InChIInChI=1S/C20H28N2/c1-11(2)17-9-15(7-13(5)19(17)21)16-8-14(6)20(22)18(10-16)12(3)4/h7-12H,21-22H2,1-6H3
InChIKeyVKYWGCBHQQGBAC-UHFFFAOYSA-N
XLogP5.38
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.46
LogP ≤ 55.38
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-(4-amino-3-methyl-5-propan-2-ylphenyl)-2-methyl-6-propan-2-ylaniline?
The IUPAC name of 4-(4-amino-3-methyl-5-propan-2-ylphenyl)-2-methyl-6-propan-2-ylaniline (CID 139432981) is 4-(4-amino-3-methyl-5-propan-2-ylphenyl)-2-methyl-6-propan-2-ylaniline.
What is the SMILES notation for 4-(4-amino-3-methyl-5-propan-2-ylphenyl)-2-methyl-6-propan-2-ylaniline?
The canonical SMILES for 4-(4-amino-3-methyl-5-propan-2-ylphenyl)-2-methyl-6-propan-2-ylaniline is Cc1cc(-c2cc(C)c(N)c(C(C)C)c2)cc(C(C)C)c1N.
What is the InChIKey of 4-(4-amino-3-methyl-5-propan-2-ylphenyl)-2-methyl-6-propan-2-ylaniline?
The InChIKey is VKYWGCBHQQGBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-11(2)17-9-15(7-13(5)19(17)21)16-8-14(6)20(22)18(10-16)12(3)4/h7-12H,21-22H2,1-6H3.
What are the key properties of 4-(4-amino-3-methyl-5-propan-2-ylphenyl)-2-methyl-6-propan-2-ylaniline?
4-(4-amino-3-methyl-5-propan-2-ylphenyl)-2-methyl-6-propan-2-ylaniline has a molecular weight of 296.46 g/mol, XLogP of 5.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methyl-5-propan-2-ylphenyl)-2-methyl-6-propan-2-ylaniline is sourced from PubChem (CID 139432981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).