4-(4-amino-2-methyl-5-propoxyphenyl)-5-methyl-2-propoxyaniline

C20H28N2O2 — CID 10947443

IUPAC4-(4-amino-2-methyl-5-propoxyphenyl)-5-methyl-2-propoxyaniline
SMILESCCCOc1cc(-c2cc(OCCC)c(N)cc2C)c(C)cc1N
InChIInChI=1S/C20H28N2O2/c1-5-7-23-19-11-15(13(3)9-17(19)21)16-12-20(24-8-6-2)18(22)10-14(16)4/h9-12H,5-8,21-22H2,1-4H3
InChIKeyVNWUZGJVHCHYTR-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.71
Rot. Bonds7

About 4-(4-amino-2-methyl-5-propoxyphenyl)-5-methyl-2-propoxyaniline

4-(4-amino-2-methyl-5-propoxyphenyl)-5-methyl-2-propoxyaniline (PubChem CID 10947443) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-(4-amino-2-methyl-5-propoxyphenyl)-5-methyl-2-propoxyaniline.

Molecular Properties

Compound Name4-(4-amino-2-methyl-5-propoxyphenyl)-5-methyl-2-propoxyaniline
PubChem CID10947443
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name4-(4-amino-2-methyl-5-propoxyphenyl)-5-methyl-2-propoxyaniline
SMILESCCCOc1cc(-c2cc(OCCC)c(N)cc2C)c(C)cc1N
InChIInChI=1S/C20H28N2O2/c1-5-7-23-19-11-15(13(3)9-17(19)21)16-12-20(24-8-6-2)18(22)10-14(16)4/h9-12H,5-8,21-22H2,1-4H3
InChIKeyVNWUZGJVHCHYTR-UHFFFAOYSA-N
XLogP4.71
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-2-methyl-5-propoxyphenyl)-5-methyl-2-propoxyaniline?
The IUPAC name of 4-(4-amino-2-methyl-5-propoxyphenyl)-5-methyl-2-propoxyaniline (CID 10947443) is 4-(4-amino-2-methyl-5-propoxyphenyl)-5-methyl-2-propoxyaniline.
What is the SMILES notation for 4-(4-amino-2-methyl-5-propoxyphenyl)-5-methyl-2-propoxyaniline?
The canonical SMILES for 4-(4-amino-2-methyl-5-propoxyphenyl)-5-methyl-2-propoxyaniline is CCCOc1cc(-c2cc(OCCC)c(N)cc2C)c(C)cc1N.
What is the InChIKey of 4-(4-amino-2-methyl-5-propoxyphenyl)-5-methyl-2-propoxyaniline?
The InChIKey is VNWUZGJVHCHYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-5-7-23-19-11-15(13(3)9-17(19)21)16-12-20(24-8-6-2)18(22)10-14(16)4/h9-12H,5-8,21-22H2,1-4H3.
What are the key properties of 4-(4-amino-2-methyl-5-propoxyphenyl)-5-methyl-2-propoxyaniline?
4-(4-amino-2-methyl-5-propoxyphenyl)-5-methyl-2-propoxyaniline has a molecular weight of 328.46 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-methyl-5-propoxyphenyl)-5-methyl-2-propoxyaniline is sourced from PubChem (CID 10947443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).