2-[5-[[3-(2-aminoethyl)-4-methylphenyl]diazenyl]-2-methylphenyl]ethanamine

C18H24N4 — CID 164763755

IUPAC2-[5-[[3-(2-aminoethyl)-4-methylphenyl]diazenyl]-2-methylphenyl]ethanamine
SMILESCc1ccc(/N=N/c2ccc(C)c(CCN)c2)cc1CCN
InChIInChI=1S/C18H24N4/c1-13-3-5-17(11-15(13)7-9-19)21-22-18-6-4-14(2)16(12-18)8-10-20/h3-6,11-12H,7-10,19-20H2,1-2H3/b22-21+
InChIKeyHWRWCSRARYQVDV-QURGRASLSA-N
MW296.42 g/mol
LogP3.72
Rot. Bonds6

About 2-[5-[[3-(2-aminoethyl)-4-methylphenyl]diazenyl]-2-methylphenyl]ethanamine

2-[5-[[3-(2-aminoethyl)-4-methylphenyl]diazenyl]-2-methylphenyl]ethanamine (PubChem CID 164763755) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[5-[[3-(2-aminoethyl)-4-methylphenyl]diazenyl]-2-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[5-[[3-(2-aminoethyl)-4-methylphenyl]diazenyl]-2-methylphenyl]ethanamine
PubChem CID164763755
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name2-[5-[[3-(2-aminoethyl)-4-methylphenyl]diazenyl]-2-methylphenyl]ethanamine
SMILESCc1ccc(/N=N/c2ccc(C)c(CCN)c2)cc1CCN
InChIInChI=1S/C18H24N4/c1-13-3-5-17(11-15(13)7-9-19)21-22-18-6-4-14(2)16(12-18)8-10-20/h3-6,11-12H,7-10,19-20H2,1-2H3/b22-21+
InChIKeyHWRWCSRARYQVDV-QURGRASLSA-N
XLogP3.72
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[3-(2-aminoethyl)-4-methylphenyl]diazenyl]-2-methylphenyl]ethanamine?
The IUPAC name of 2-[5-[[3-(2-aminoethyl)-4-methylphenyl]diazenyl]-2-methylphenyl]ethanamine (CID 164763755) is 2-[5-[[3-(2-aminoethyl)-4-methylphenyl]diazenyl]-2-methylphenyl]ethanamine.
What is the SMILES notation for 2-[5-[[3-(2-aminoethyl)-4-methylphenyl]diazenyl]-2-methylphenyl]ethanamine?
The canonical SMILES for 2-[5-[[3-(2-aminoethyl)-4-methylphenyl]diazenyl]-2-methylphenyl]ethanamine is Cc1ccc(/N=N/c2ccc(C)c(CCN)c2)cc1CCN.
What is the InChIKey of 2-[5-[[3-(2-aminoethyl)-4-methylphenyl]diazenyl]-2-methylphenyl]ethanamine?
The InChIKey is HWRWCSRARYQVDV-QURGRASLSA-N. The full InChI is InChI=1S/C18H24N4/c1-13-3-5-17(11-15(13)7-9-19)21-22-18-6-4-14(2)16(12-18)8-10-20/h3-6,11-12H,7-10,19-20H2,1-2H3/b22-21+.
What are the key properties of 2-[5-[[3-(2-aminoethyl)-4-methylphenyl]diazenyl]-2-methylphenyl]ethanamine?
2-[5-[[3-(2-aminoethyl)-4-methylphenyl]diazenyl]-2-methylphenyl]ethanamine has a molecular weight of 296.42 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[3-(2-aminoethyl)-4-methylphenyl]diazenyl]-2-methylphenyl]ethanamine is sourced from PubChem (CID 164763755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).