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

C20H28N4 — CID 164763757

IUPAC2-[3-[[5-(2-aminoethyl)-2-ethylphenyl]diazenyl]-4-ethylphenyl]ethanamine
SMILESCCc1ccc(CCN)cc1/N=N/c1cc(CCN)ccc1CC
InChIInChI=1S/C20H28N4/c1-3-17-7-5-15(9-11-21)13-19(17)23-24-20-14-16(10-12-22)6-8-18(20)4-2/h5-8,13-14H,3-4,9-12,21-22H2,1-2H3/b24-23+
InChIKeyYONCTEQIRQHKFU-WCWDXBQESA-N
MW324.47 g/mol
LogP4.23
Rot. Bonds8

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

2-[3-[[5-(2-aminoethyl)-2-ethylphenyl]diazenyl]-4-ethylphenyl]ethanamine (PubChem CID 164763757) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-[3-[[5-(2-aminoethyl)-2-ethylphenyl]diazenyl]-4-ethylphenyl]ethanamine.

Molecular Properties

Compound Name2-[3-[[5-(2-aminoethyl)-2-ethylphenyl]diazenyl]-4-ethylphenyl]ethanamine
PubChem CID164763757
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name2-[3-[[5-(2-aminoethyl)-2-ethylphenyl]diazenyl]-4-ethylphenyl]ethanamine
SMILESCCc1ccc(CCN)cc1/N=N/c1cc(CCN)ccc1CC
InChIInChI=1S/C20H28N4/c1-3-17-7-5-15(9-11-21)13-19(17)23-24-20-14-16(10-12-22)6-8-18(20)4-2/h5-8,13-14H,3-4,9-12,21-22H2,1-2H3/b24-23+
InChIKeyYONCTEQIRQHKFU-WCWDXBQESA-N
XLogP4.23
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.23
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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Related Compounds

2-[4-(2-aminoethyl)-3-ethylphenyl]ethanamine
CID 55266705
2-(2,5-diethylphenyl)ethanamine
CID 117277667
4-(3,4-diethylphenyl)butan-1-amine
CID 115483378
2-[5-[[3-(2-aminoethyl)-4-ethylphenyl]diazenyl]-2-ethylphenyl]ethanamine
CID 164763760
2-(4-ethylisoquinolin-7-yl)ethanamine
CID 117289480
2-[6-(2-aminoethyl)naphthalen-2-yl]ethanamine
CID 20633654
4-[[5-(2-aminoethyl)-2-hydroxyphenyl]diazenyl]benzoic acid
CID 137350178
1-[2-(2-aminoethyl)-5-ethylphenyl]ethanone
CID 143344931
2-(2-aminoethyl)-5-ethylbenzoic acid
CID 83853045
1,2-diethyl-4-propylbenzene
CID 54363919
ethyl N'-[4-(2-aminoethyl)-2-(aminomethyl)phenyl]carbamimidothioate
CID 174441540
2-(3-fluoro-4-methylsulfonylphenyl)ethanamine
CID 84785221

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-(2-aminoethyl)-2-ethylphenyl]diazenyl]-4-ethylphenyl]ethanamine?
The IUPAC name of 2-[3-[[5-(2-aminoethyl)-2-ethylphenyl]diazenyl]-4-ethylphenyl]ethanamine (CID 164763757) is 2-[3-[[5-(2-aminoethyl)-2-ethylphenyl]diazenyl]-4-ethylphenyl]ethanamine.
What is the SMILES notation for 2-[3-[[5-(2-aminoethyl)-2-ethylphenyl]diazenyl]-4-ethylphenyl]ethanamine?
The canonical SMILES for 2-[3-[[5-(2-aminoethyl)-2-ethylphenyl]diazenyl]-4-ethylphenyl]ethanamine is CCc1ccc(CCN)cc1/N=N/c1cc(CCN)ccc1CC.
What is the InChIKey of 2-[3-[[5-(2-aminoethyl)-2-ethylphenyl]diazenyl]-4-ethylphenyl]ethanamine?
The InChIKey is YONCTEQIRQHKFU-WCWDXBQESA-N. The full InChI is InChI=1S/C20H28N4/c1-3-17-7-5-15(9-11-21)13-19(17)23-24-20-14-16(10-12-22)6-8-18(20)4-2/h5-8,13-14H,3-4,9-12,21-22H2,1-2H3/b24-23+.
What are the key properties of 2-[3-[[5-(2-aminoethyl)-2-ethylphenyl]diazenyl]-4-ethylphenyl]ethanamine?
2-[3-[[5-(2-aminoethyl)-2-ethylphenyl]diazenyl]-4-ethylphenyl]ethanamine has a molecular weight of 324.47 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5-(2-aminoethyl)-2-ethylphenyl]diazenyl]-4-ethylphenyl]ethanamine is sourced from PubChem (CID 164763757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).