4-[4-(4-amino-3,5-dimethylphenyl)-3-propan-2-ylphenyl]-2,6-dimethylaniline

C25H30N2 — CID 67742579

IUPAC4-[4-(4-amino-3,5-dimethylphenyl)-3-propan-2-ylphenyl]-2,6-dimethylaniline
SMILESCc1cc(-c2ccc(-c3cc(C)c(N)c(C)c3)c(C(C)C)c2)cc(C)c1N
InChIInChI=1S/C25H30N2/c1-14(2)23-13-19(20-9-15(3)24(26)16(4)10-20)7-8-22(23)21-11-17(5)25(27)18(6)12-21/h7-14H,26-27H2,1-6H3
InChIKeyQOWKLNWVNMSSGJ-UHFFFAOYSA-N
MW358.53 g/mol
LogP6.54
Rot. Bonds3

About 4-[4-(4-amino-3,5-dimethylphenyl)-3-propan-2-ylphenyl]-2,6-dimethylaniline

4-[4-(4-amino-3,5-dimethylphenyl)-3-propan-2-ylphenyl]-2,6-dimethylaniline (PubChem CID 67742579) has the molecular formula C25H30N2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 4-[4-(4-amino-3,5-dimethylphenyl)-3-propan-2-ylphenyl]-2,6-dimethylaniline.

Molecular Properties

Compound Name4-[4-(4-amino-3,5-dimethylphenyl)-3-propan-2-ylphenyl]-2,6-dimethylaniline
PubChem CID67742579
Molecular FormulaC25H30N2
Molecular Weight358.53 g/mol
Exact Mass358.24
IUPAC Name4-[4-(4-amino-3,5-dimethylphenyl)-3-propan-2-ylphenyl]-2,6-dimethylaniline
SMILESCc1cc(-c2ccc(-c3cc(C)c(N)c(C)c3)c(C(C)C)c2)cc(C)c1N
InChIInChI=1S/C25H30N2/c1-14(2)23-13-19(20-9-15(3)24(26)16(4)10-20)7-8-22(23)21-11-17(5)25(27)18(6)12-21/h7-14H,26-27H2,1-6H3
InChIKeyQOWKLNWVNMSSGJ-UHFFFAOYSA-N
XLogP6.54
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 56.54
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-(4-amino-3,5-dimethylphenyl)-3-propan-2-ylphenyl]-2,6-dimethylaniline?
The IUPAC name of 4-[4-(4-amino-3,5-dimethylphenyl)-3-propan-2-ylphenyl]-2,6-dimethylaniline (CID 67742579) is 4-[4-(4-amino-3,5-dimethylphenyl)-3-propan-2-ylphenyl]-2,6-dimethylaniline.
What is the SMILES notation for 4-[4-(4-amino-3,5-dimethylphenyl)-3-propan-2-ylphenyl]-2,6-dimethylaniline?
The canonical SMILES for 4-[4-(4-amino-3,5-dimethylphenyl)-3-propan-2-ylphenyl]-2,6-dimethylaniline is Cc1cc(-c2ccc(-c3cc(C)c(N)c(C)c3)c(C(C)C)c2)cc(C)c1N.
What is the InChIKey of 4-[4-(4-amino-3,5-dimethylphenyl)-3-propan-2-ylphenyl]-2,6-dimethylaniline?
The InChIKey is QOWKLNWVNMSSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2/c1-14(2)23-13-19(20-9-15(3)24(26)16(4)10-20)7-8-22(23)21-11-17(5)25(27)18(6)12-21/h7-14H,26-27H2,1-6H3.
What are the key properties of 4-[4-(4-amino-3,5-dimethylphenyl)-3-propan-2-ylphenyl]-2,6-dimethylaniline?
4-[4-(4-amino-3,5-dimethylphenyl)-3-propan-2-ylphenyl]-2,6-dimethylaniline has a molecular weight of 358.53 g/mol, XLogP of 6.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-amino-3,5-dimethylphenyl)-3-propan-2-ylphenyl]-2,6-dimethylaniline is sourced from PubChem (CID 67742579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).