2-[4-[[4-[2-(dimethylamino)ethyl]phenyl]diazenyl]phenyl]-N,N-dimethylethanamine

C20H28N4 — CID 101017326

IUPAC2-[4-[[4-[2-(dimethylamino)ethyl]phenyl]diazenyl]phenyl]-N,N-dimethylethanamine
SMILESCN(C)CCc1ccc(/N=N/c2ccc(CCN(C)C)cc2)cc1
InChIInChI=1S/C20H28N4/c1-23(2)15-13-17-5-9-19(10-6-17)21-22-20-11-7-18(8-12-20)14-16-24(3)4/h5-12H,13-16H2,1-4H3/b22-21+
InChIKeySYNMRLJJOJWOAC-QURGRASLSA-N
MW324.47 g/mol
LogP4.31
Rot. Bonds8

About 2-[4-[[4-[2-(dimethylamino)ethyl]phenyl]diazenyl]phenyl]-N,N-dimethylethanamine

2-[4-[[4-[2-(dimethylamino)ethyl]phenyl]diazenyl]phenyl]-N,N-dimethylethanamine (PubChem CID 101017326) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-[4-[[4-[2-(dimethylamino)ethyl]phenyl]diazenyl]phenyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[[4-[2-(dimethylamino)ethyl]phenyl]diazenyl]phenyl]-N,N-dimethylethanamine
PubChem CID101017326
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name2-[4-[[4-[2-(dimethylamino)ethyl]phenyl]diazenyl]phenyl]-N,N-dimethylethanamine
SMILESCN(C)CCc1ccc(/N=N/c2ccc(CCN(C)C)cc2)cc1
InChIInChI=1S/C20H28N4/c1-23(2)15-13-17-5-9-19(10-6-17)21-22-20-11-7-18(8-12-20)14-16-24(3)4/h5-12H,13-16H2,1-4H3/b22-21+
InChIKeySYNMRLJJOJWOAC-QURGRASLSA-N
XLogP4.31
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.31
H-Bond Donors ≤ 50
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-[ethyl(methyl)amino]ethyl]phenyl]-N,N-dimethylethanamine
CID 156861080
CID 59327691
CID 59327691
N,N-dimethyl-2-phenylethanamine;hydrazine
CID 159470324
4-[4-[2-(dimethylamino)ethyl]phenyl]butan-1-amine
CID 117314930
1-[[4-[2-(dimethylamino)ethyl]phenyl]methyl]cyclopropan-1-ol
CID 117313193
4-[2-[4-[[4-[2-(4-aminophenyl)ethyl]phenyl]diazenyl]phenyl]ethyl]aniline
CID 134597339
bis(4-decylphenyl)diazene
CID 71359462
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylethanamine
CID 117043729
3-[4-[(4-decylphenyl)diazenyl]phenyl]propane-1-thiol
CID 101009194
[4-[2-(dimethylamino)ethyl]phenyl]-phenylmethanone
CID 44720417
N,N-dimethyl-2-(3-nitrosophenyl)ethanamine
CID 143527748
10-[4-[[4-[10-(dimethylamino)decoxy]phenyl]diazenyl]phenoxy]-N,N-dimethyldecan-1-amine
CID 101082704

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[2-(dimethylamino)ethyl]phenyl]diazenyl]phenyl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[[4-[2-(dimethylamino)ethyl]phenyl]diazenyl]phenyl]-N,N-dimethylethanamine (CID 101017326) is 2-[4-[[4-[2-(dimethylamino)ethyl]phenyl]diazenyl]phenyl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[[4-[2-(dimethylamino)ethyl]phenyl]diazenyl]phenyl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[[4-[2-(dimethylamino)ethyl]phenyl]diazenyl]phenyl]-N,N-dimethylethanamine is CN(C)CCc1ccc(/N=N/c2ccc(CCN(C)C)cc2)cc1.
What is the InChIKey of 2-[4-[[4-[2-(dimethylamino)ethyl]phenyl]diazenyl]phenyl]-N,N-dimethylethanamine?
The InChIKey is SYNMRLJJOJWOAC-QURGRASLSA-N. The full InChI is InChI=1S/C20H28N4/c1-23(2)15-13-17-5-9-19(10-6-17)21-22-20-11-7-18(8-12-20)14-16-24(3)4/h5-12H,13-16H2,1-4H3/b22-21+.
What are the key properties of 2-[4-[[4-[2-(dimethylamino)ethyl]phenyl]diazenyl]phenyl]-N,N-dimethylethanamine?
2-[4-[[4-[2-(dimethylamino)ethyl]phenyl]diazenyl]phenyl]-N,N-dimethylethanamine has a molecular weight of 324.47 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[2-(dimethylamino)ethyl]phenyl]diazenyl]phenyl]-N,N-dimethylethanamine is sourced from PubChem (CID 101017326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).